4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

C15H25N3S — CID 64633672

IUPAC4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCc1ccnc(SC2CC(C(C)(C)C)CCC2N)n1
InChIInChI=1S/C15H25N3S/c1-10-7-8-17-14(18-10)19-13-9-11(15(2,3)4)5-6-12(13)16/h7-8,11-13H,5-6,9,16H2,1-4H3
InChIKeyRKUYSIOVCFMJNG-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.42
Rot. Bonds2

About 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (PubChem CID 64633672) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
PubChem CID64633672
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCc1ccnc(SC2CC(C(C)(C)C)CCC2N)n1
InChIInChI=1S/C15H25N3S/c1-10-7-8-17-14(18-10)19-13-9-11(15(2,3)4)5-6-12(13)16/h7-8,11-13H,5-6,9,16H2,1-4H3
InChIKeyRKUYSIOVCFMJNG-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (CID 64633672) is 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is Cc1ccnc(SC2CC(C(C)(C)C)CCC2N)n1.
What is the InChIKey of 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The InChIKey is RKUYSIOVCFMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10-7-8-17-14(18-10)19-13-9-11(15(2,3)4)5-6-12(13)16/h7-8,11-13H,5-6,9,16H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64633672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).