2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C8H12N4O — CID 135452518

IUPAC2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CNc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C8H12N4O/c1-4-2-5-6(10-3-4)11-8(9)12-7(5)13/h4H,2-3H2,1H3,(H4,9,10,11,12,13)
InChIKeyZSIVUAYWPMCITB-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.04
Rot. Bonds

About 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135452518) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135452518
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CNc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C8H12N4O/c1-4-2-5-6(10-3-4)11-8(9)12-7(5)13/h4H,2-3H2,1H3,(H4,9,10,11,12,13)
InChIKeyZSIVUAYWPMCITB-UHFFFAOYSA-N
XLogP-0.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135452518) is 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC1CNc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZSIVUAYWPMCITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-2-5-6(10-3-4)11-8(9)12-7(5)13/h4H,2-3H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).