N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

C16H27N3S — CID 65144269

IUPACN-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CSC2CCCCC2)n1
InChIInChI=1S/C16H27N3S/c1-12(2)17-10-14-9-13(3)18-16(19-14)11-20-15-7-5-4-6-8-15/h9,12,15,17H,4-8,10-11H2,1-3H3
InChIKeyMKVZNGRJIZFYFD-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.85
Rot. Bonds6

About N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65144269) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65144269
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(CSC2CCCCC2)n1
InChIInChI=1S/C16H27N3S/c1-12(2)17-10-14-9-13(3)18-16(19-14)11-20-15-7-5-4-6-8-15/h9,12,15,17H,4-8,10-11H2,1-3H3
InChIKeyMKVZNGRJIZFYFD-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(octahydro-2H-benzimidazol-2-ylidene)pyrimidin-2-amine
CID 2945459
Pyrimidine, 4,6-dimethyl-2-((6-piperidinohexyl)thio)-
CID 3021601
2-[(4,6-Dimethylpyrimidin-2-yl)amino]ethanethiol
CID 3136555
4,6-dimethyl-N-(propan-2-ylsulfanylmethyl)pyrimidin-2-amine
CID 163667319
N-cyclohexyl-N-(4,6-dimethyl-2-pyrimidinyl)amine
CID 734464
4-Methyl-2-(piperidin-2-YL)-6-(trifluoromethyl)pyrimidine
CID 63317304
N-[(2,6-dimethylpyrimidin-4-yl)methyl]thiomorpholine-4-carboxamide
CID 121527472
(2S)-1-(azepan-1-yl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]propan-2-amine
CID 164636635
2-[(4,6-Dimethylpyrimidin-2-yl)methylamino]-2,2-difluoroethanethial
CID 163872289
1-[(1s,2s)-2-(Dimethylamino)cyclohexyl]-3-(4,6-dimethylpyrimidin-2-yl)-thiourea
CID 129838527
N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 55114142
N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 55114287

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (CID 65144269) is N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(CSC2CCCCC2)n1.
What is the InChIKey of N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is MKVZNGRJIZFYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(2)17-10-14-9-13(3)18-16(19-14)11-20-15-7-5-4-6-8-15/h9,12,15,17H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).