1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one

C9H13N3O — CID 117044761

IUPAC1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one
SMILESCC(=O)CN(C)c1nccc(C)n1
InChIInChI=1S/C9H13N3O/c1-7-4-5-10-9(11-7)12(3)6-8(2)13/h4-5H,6H2,1-3H3
InChIKeyWNFARPSTCPNPEI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.81
Rot. Bonds3

About 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one

1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one (PubChem CID 117044761) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one
PubChem CID117044761
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one
SMILESCC(=O)CN(C)c1nccc(C)n1
InChIInChI=1S/C9H13N3O/c1-7-4-5-10-9(11-7)12(3)6-8(2)13/h4-5H,6H2,1-3H3
InChIKeyWNFARPSTCPNPEI-UHFFFAOYSA-N
XLogP0.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 62959481
1-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]propan-2-one
CID 116978067
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 133309491
4-methyl-N,N-bis(sulfanyl)pyrimidin-2-amine
CID 89307492
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one?
The IUPAC name of 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one (CID 117044761) is 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one is CC(=O)CN(C)c1nccc(C)n1.
What is the InChIKey of 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one?
The InChIKey is WNFARPSTCPNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-5-10-9(11-7)12(3)6-8(2)13/h4-5H,6H2,1-3H3.
What are the key properties of 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one?
1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methylpyrimidin-2-yl)amino]propan-2-one is sourced from PubChem (CID 117044761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).