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

C8H8N4O — CID 18374776

IUPAC2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(N)nc21
InChIInChI=1S/C8H8N4O/c1-12-6(13)3-2-5-4-10-8(9)11-7(5)12/h2-4H,1H3,(H2,9,10,11)
InChIKeySHFNDPYHFKYJEH-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.09
Rot. Bonds

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

2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374776) 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-7-one.

Molecular Properties

Compound Name2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID18374776
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(N)nc21
InChIInChI=1S/C8H8N4O/c1-12-6(13)3-2-5-4-10-8(9)11-7(5)12/h2-4H,1H3,(H2,9,10,11)
InChIKeySHFNDPYHFKYJEH-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
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-7-one?
The IUPAC name of 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 18374776) is 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)ccc2cnc(N)nc21.
What is the InChIKey of 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SHFNDPYHFKYJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-6(13)3-2-5-4-10-8(9)11-7(5)12/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 176.18 g/mol, XLogP of -0.09, 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-7-one is sourced from PubChem (CID 18374776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).