2-amino-8H-pyrido[2,3-d]pyrimidin-7-one

C7H6N4O — CID 5373808

IUPAC2-amino-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C7H6N4O/c8-7-9-3-4-1-2-5(12)10-6(4)11-7/h1-3H,(H3,8,9,10,11,12)
InChIKeyATLXXIXQFJFKSW-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.10
Rot. Bonds

About 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one

2-amino-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5373808) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID5373808
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-amino-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C7H6N4O/c8-7-9-3-4-1-2-5(12)10-6(4)11-7/h1-3H,(H3,8,9,10,11,12)
InChIKeyATLXXIXQFJFKSW-UHFFFAOYSA-N
XLogP-0.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17
CID 5330203
1-Ethyl-3-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]urea
CID 118146747
1-[4-[(8-Methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]-3-propan-2-ylurea
CID 118146764
2-[[1-(2-Methylpropanoyl)piperidin-4-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146819
2-methyl-N-[4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]propanamide
CID 118146870
N-ethyl-4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 118146871
4-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 118146872
2-[(4-Aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 118146891
2-(Oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088

Frequently Asked Questions

What is the IUPAC name of 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one (CID 5373808) is 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2ccc(=O)[nH]c2n1.
What is the InChIKey of 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ATLXXIXQFJFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7-9-3-4-1-2-5(12)10-6(4)11-7/h1-3H,(H3,8,9,10,11,12).
What are the key properties of 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 162.15 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5373808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).