N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine

C14H23N3S — CID 62581167

IUPACN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
SMILESCc1ccnc(SC(C)CNC2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h8-9,12-13,16H,3-7,10H2,1-2H3
InChIKeyAKGJVRVXXMCVAR-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine

N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine (PubChem CID 62581167) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
PubChem CID62581167
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
SMILESCc1ccnc(SC(C)CNC2CCCCC2)n1
InChIInChI=1S/C14H23N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h8-9,12-13,16H,3-7,10H2,1-2H3
InChIKeyAKGJVRVXXMCVAR-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine?
The IUPAC name of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine (CID 62581167) is N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine is Cc1ccnc(SC(C)CNC2CCCCC2)n1.
What is the InChIKey of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine?
The InChIKey is AKGJVRVXXMCVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h8-9,12-13,16H,3-7,10H2,1-2H3.
What are the key properties of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine?
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine has a molecular weight of 265.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine is sourced from PubChem (CID 62581167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).