2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one

C8H8N4O — CID 10329837

IUPAC2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCn1cccc2c(=O)nc(N)nc1-2
InChIInChI=1S/C8H8N4O/c1-12-4-2-3-5-6(12)10-8(9)11-7(5)13/h2-4H,1H3,(H2,9,11,13)
InChIKeyUOBKDMYQUZMXSA-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.14
Rot. Bonds

About 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one

2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 10329837) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID10329837
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCn1cccc2c(=O)nc(N)nc1-2
InChIInChI=1S/C8H8N4O/c1-12-4-2-3-5-6(12)10-8(9)11-7(5)13/h2-4H,1H3,(H2,9,11,13)
InChIKeyUOBKDMYQUZMXSA-UHFFFAOYSA-N
XLogP-0.14
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one (CID 10329837) is 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one is Cn1cccc2c(=O)nc(N)nc1-2.
What is the InChIKey of 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UOBKDMYQUZMXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-4-2-3-5-6(12)10-8(9)11-7(5)13/h2-4H,1H3,(H2,9,11,13).
What are the key properties of 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one?
2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 176.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10329837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).