1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one

C12H18N4O — CID 54351970

IUPAC1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one
SMILESCNc1nc(C)c2c(n1)NCC(CC(C)=O)C2
InChIInChI=1S/C12H18N4O/c1-7(17)4-9-5-10-8(2)15-12(13-3)16-11(10)14-6-9/h9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyUGKGHKPZRPKOIL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.39
Rot. Bonds3

About 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one

1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one (PubChem CID 54351970) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one
PubChem CID54351970
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one
SMILESCNc1nc(C)c2c(n1)NCC(CC(C)=O)C2
InChIInChI=1S/C12H18N4O/c1-7(17)4-9-5-10-8(2)15-12(13-3)16-11(10)14-6-9/h9H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyUGKGHKPZRPKOIL-UHFFFAOYSA-N
XLogP1.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
3-(2-Methyl-6-(piperidin-4-yl)pyrimidin-4-yl)propanamide
CID 66509972
N-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
CID 66509973
4,8-Dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 73439379
4-Methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110248555
Cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110262142
2-cyclopentyl-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 118740146
2-Amino-4-methyl-5,8-dihydropyrido(2,3-d)pyrimidin-7(6H)-one
CID 293299

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one?
The IUPAC name of 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one (CID 54351970) is 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one.
What is the SMILES notation for 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one?
The canonical SMILES for 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one is CNc1nc(C)c2c(n1)NCC(CC(C)=O)C2.
What is the InChIKey of 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one?
The InChIKey is UGKGHKPZRPKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(17)4-9-5-10-8(2)15-12(13-3)16-11(10)14-6-9/h9H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one?
1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(methylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]propan-2-one is sourced from PubChem (CID 54351970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).