6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one

C9H8N4O — CID 15138995

IUPAC6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1-c1cccnc1
InChIInChI=1S/C9H8N4O/c10-8-7(5-12-9(14)13-8)6-2-1-3-11-4-6/h1-5H,(H3,10,12,13,14)
InChIKeyVYPNFQKWNSYPPA-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

About 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one

6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one (PubChem CID 15138995) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
PubChem CID15138995
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1-c1cccnc1
InChIInChI=1S/C9H8N4O/c10-8-7(5-12-9(14)13-8)6-2-1-3-11-4-6/h1-5H,(H3,10,12,13,14)
InChIKeyVYPNFQKWNSYPPA-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20515010
5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 155294297
2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
CID 88992596
6-amino-1H-pyrimidin-2-one;pyridine-3-carboxamide
CID 129308158
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
6-pyridin-3-ylisoquinolin-5-amine
CID 82583202
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2,4-dipyridin-3-ylaniline
CID 46316358
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
2-nitro-3-pyridin-3-ylpyridin-4-amine
CID 141377887

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one (CID 15138995) is 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1-c1cccnc1.
What is the InChIKey of 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one?
The InChIKey is VYPNFQKWNSYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-8-7(5-12-9(14)13-8)6-2-1-3-11-4-6/h1-5H,(H3,10,12,13,14).
What are the key properties of 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one?
6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 15138995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).