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

C8H8N4O — CID 165150028

IUPAC6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(N)nc2c1=O
InChIInChI=1S/C8H8N4O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3,(H2,9,11)
InChIKeyQEHHTCMEEGPLOE-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.09
Rot. Bonds

About 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one

6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 165150028) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID165150028
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(N)nc2c1=O
InChIInChI=1S/C8H8N4O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3,(H2,9,11)
InChIKeyQEHHTCMEEGPLOE-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 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 165150028) is 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2ccc(N)nc2c1=O.
What is the InChIKey of 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QEHHTCMEEGPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3,(H2,9,11).
What are the key properties of 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one?
6-amino-3-methylpyrido[3,2-d]pyrimidin-4-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 6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 165150028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).