2-amino-4-(2-methylpropenyl)pyrimidin-5-carboxylic acid

2-amino-4-(2-methylpropenyl)pyrimidin-5-carboxylic acid
Compound Structure:
Synonyms: 2-Amino-4-(2-methylpropenyl)-pyrimidin-5-carboxylic acid;2-Amino-4-(2-methyl-1-propenyl)-5-pyrimidinecarboxylic acid #
Compound ID: NMPC-217
PubChem ID:

536162
Molecular Formula: C9H11N3O2
Canonical SMILES: CC(=CC1=NC(=NC=C1C(=O)O)N)C
InChIKey: KJHAZRJGZLZIML-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

193.20 g/mol

XLogP3-AA

1

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

2

Exact Mass

193.085126602 g/mol

Monoisotopic Mass

193.085126602 g/mol

Topological Polar Surface Area

89.1Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

248

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Uvaria chamae
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