N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

C15H25N3S — CID 64634854

IUPACN,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1nccc(C)n1
InChIInChI=1S/C15H25N3S/c1-4-12-6-7-13(16-5-2)14(10-12)19-15-17-9-8-11(3)18-15/h8-9,12-14,16H,4-7,10H2,1-3H3
InChIKeyYXXYKCUQIDGJKI-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.43
Rot. Bonds5

About N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine

N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (PubChem CID 64634854) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
PubChem CID64634854
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1nccc(C)n1
InChIInChI=1S/C15H25N3S/c1-4-12-6-7-13(16-5-2)14(10-12)19-15-17-9-8-11(3)18-15/h8-9,12-14,16H,4-7,10H2,1-3H3
InChIKeyYXXYKCUQIDGJKI-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine (CID 64634854) is N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is CCNC1CCC(CC)CC1Sc1nccc(C)n1.
What is the InChIKey of N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
The InChIKey is YXXYKCUQIDGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-12-6-7-13(16-5-2)14(10-12)19-15-17-9-8-11(3)18-15/h8-9,12-14,16H,4-7,10H2,1-3H3.
What are the key properties of N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine?
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).