2-amino-3H-pyrido[2,3-d]pyrimidin-4-one

C7H6N4O — CID 135404215

IUPAC2-amino-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C7H6N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H3,8,9,10,11,12)
InChIKeyJXYNHGDZJFQCAX-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.10
Rot. Bonds

About 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135404215) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135404215
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-amino-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C7H6N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H3,8,9,10,11,12)
InChIKeyJXYNHGDZJFQCAX-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135404215) is 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one is Nc1nc2ncccc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JXYNHGDZJFQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H,(H3,8,9,10,11,12).
What are the key properties of 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-3H-pyrido[2,3-d]pyrimidin-4-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-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135404215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).