2-amino-6H-pyrido[2,3-d]pyrimidin-7-one

C7H6N4O — CID 67237080

IUPAC2-amino-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2c(n1)=NC(=O)CC=2
InChIInChI=1S/C7H6N4O/c8-7-9-3-4-1-2-5(12)10-6(4)11-7/h1,3H,2H2,(H2,8,10,11,12)
InChIKeySDYHKJLEMOUMMJ-UHFFFAOYSA-N
MW162.15 g/mol
LogP-1.61
Rot. Bonds

About 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one

2-amino-6H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67237080) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67237080
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-amino-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2c(n1)=NC(=O)CC=2
InChIInChI=1S/C7H6N4O/c8-7-9-3-4-1-2-5(12)10-6(4)11-7/h1,3H,2H2,(H2,8,10,11,12)
InChIKeySDYHKJLEMOUMMJ-UHFFFAOYSA-N
XLogP-1.61
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one (CID 67237080) is 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2c(n1)=NC(=O)CC=2.
What is the InChIKey of 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SDYHKJLEMOUMMJ-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,2H2,(H2,8,10,11,12).
What are the key properties of 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-6H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 162.15 g/mol, XLogP of -1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67237080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).