4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one

C8H12N4O — CID 83862596

IUPAC4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCc2c(N)nc(=O)[nH]c2C1
InChIInChI=1S/C8H12N4O/c1-12-3-2-5-6(4-12)10-8(13)11-7(5)9/h2-4H2,1H3,(H3,9,10,11,13)
InChIKeyLCUYFPKGJRQRLS-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.66
Rot. Bonds

About 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one

4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 83862596) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
PubChem CID83862596
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCc2c(N)nc(=O)[nH]c2C1
InChIInChI=1S/C8H12N4O/c1-12-3-2-5-6(4-12)10-8(13)11-7(5)9/h2-4H2,1H3,(H3,9,10,11,13)
InChIKeyLCUYFPKGJRQRLS-UHFFFAOYSA-N
XLogP-0.66
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one (CID 83862596) is 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is CN1CCc2c(N)nc(=O)[nH]c2C1.
What is the InChIKey of 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is LCUYFPKGJRQRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-3-2-5-6(4-12)10-8(13)11-7(5)9/h2-4H2,1H3,(H3,9,10,11,13).
What are the key properties of 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one?
4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 83862596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).