2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C15H25N3S — CID 65144264

IUPAC2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(CSC2CCCCC2)nc1NC
InChIInChI=1S/C15H25N3S/c1-4-13-11(2)17-14(18-15(13)16-3)10-19-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyOFTOVBXEGVJHHG-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.96
Rot. Bonds5

About 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 65144264) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID65144264
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(CSC2CCCCC2)nc1NC
InChIInChI=1S/C15H25N3S/c1-4-13-11(2)17-14(18-15(13)16-3)10-19-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyOFTOVBXEGVJHHG-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 65144264) is 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(CSC2CCCCC2)nc1NC.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is OFTOVBXEGVJHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-13-11(2)17-14(18-15(13)16-3)10-19-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).