2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine

C16H27N3S — CID 65144312

IUPAC2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC2CCCCC2)nc(C)c1CC
InChIInChI=1S/C16H27N3S/c1-4-14-12(3)18-15(19-16(14)17-5-2)11-20-13-9-7-6-8-10-13/h13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyJANJMPTXRKIEGB-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.35
Rot. Bonds6

About 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 65144312) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID65144312
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC2CCCCC2)nc(C)c1CC
InChIInChI=1S/C16H27N3S/c1-4-14-12(3)18-15(19-16(14)17-5-2)11-20-13-9-7-6-8-10-13/h13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyJANJMPTXRKIEGB-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 65144312) is 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(CSC2CCCCC2)nc(C)c1CC.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is JANJMPTXRKIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-4-14-12(3)18-15(19-16(14)17-5-2)11-20-13-9-7-6-8-10-13/h13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 293.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 65144312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).