2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C15H25N3S — CID 65144459

IUPAC2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CSC2CCCCC2)n1
InChIInChI=1S/C15H25N3S/c1-11(2)13-9-14(16-3)18-15(17-13)10-19-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyILHYFPTYTXHCBF-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.21
Rot. Bonds5

About 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 65144459) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID65144459
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(CSC2CCCCC2)n1
InChIInChI=1S/C15H25N3S/c1-11(2)13-9-14(16-3)18-15(17-13)10-19-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyILHYFPTYTXHCBF-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
CID 65139776
N-methyl-2-(2-methylpropylsulfanylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 65137505
2-(cyclopentylsulfanylmethyl)-N-methylpyrimidin-4-amine
CID 65140334
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65140533
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
N-methyl-2-(methylsulfonylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 62474014
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65140383
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987
N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636848

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 65144459) is 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(CSC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ILHYFPTYTXHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-11(2)13-9-14(16-3)18-15(17-13)10-19-12-7-5-4-6-8-12/h9,11-12H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65144459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).