1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one

C12H18N4O — CID 115266890

IUPAC1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
SMILESCC(=O)CNc1cc(NC2CCC2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-8(17)7-13-11-6-12(15-9(2)14-11)16-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKNRFGEQEBMTGNC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds5

About 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one

1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one (PubChem CID 115266890) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
PubChem CID115266890
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one
SMILESCC(=O)CNc1cc(NC2CCC2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-8(17)7-13-11-6-12(15-9(2)14-11)16-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyKNRFGEQEBMTGNC-UHFFFAOYSA-N
XLogP1.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
CID 115266537
6-N-cyclobutyl-2-methyl-4-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
CID 115266593
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one?
The IUPAC name of 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one (CID 115266890) is 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one.
What is the SMILES notation for 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one?
The canonical SMILES for 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one is CC(=O)CNc1cc(NC2CCC2)nc(C)n1.
What is the InChIKey of 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one?
The InChIKey is KNRFGEQEBMTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(17)7-13-11-6-12(15-9(2)14-11)16-10-4-3-5-10/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one?
1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propan-2-one is sourced from PubChem (CID 115266890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).