8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one

C12H16N4O — CID 142161241

IUPAC8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CN(C)n1c(=O)ccc2cncnc21
InChIInChI=1S/C12H16N4O/c1-9(2)7-15(3)16-11(17)5-4-10-6-13-8-14-12(10)16/h4-6,8-9H,7H2,1-3H3
InChIKeyNLWKROILMGEHDT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.02
Rot. Bonds3

About 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142161241) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID142161241
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)CN(C)n1c(=O)ccc2cncnc21
InChIInChI=1S/C12H16N4O/c1-9(2)7-15(3)16-11(17)5-4-10-6-13-8-14-12(10)16/h4-6,8-9H,7H2,1-3H3
InChIKeyNLWKROILMGEHDT-UHFFFAOYSA-N
XLogP1.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16
CID 5330202
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14
CID 5330200
Pyrido[2,3-d]pyrimidin-7-ol
CID 10012049
8-Ethyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 10560946
8-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 10750835
2-Aminopyrido[2,3-d]pyrimidin-7(8H)-one
CID 5373808
4-(dimethylamino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 91812682
2-Chloro-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 88044015
2-(2,2-difluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 118295998
2-(2,2,2-trifluoroethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 118296010
8-(2,2,2-Trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 141043951

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 142161241) is 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(C)CN(C)n1c(=O)ccc2cncnc21.
What is the InChIKey of 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NLWKROILMGEHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)7-15(3)16-11(17)5-4-10-6-13-8-14-12(10)16/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 232.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(2-methylpropyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142161241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).