(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine

C15H19N3S — CID 139906386

IUPAC(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine
SMILESNCc1cc(C2CCCCC2)c(-c2ccncn2)s1
InChIInChI=1S/C15H19N3S/c16-9-12-8-13(11-4-2-1-3-5-11)15(19-12)14-6-7-17-10-18-14/h6-8,10-11H,1-5,9,16H2
InChIKeyRRQKKHZVBAKJGG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.71
Rot. Bonds3

About (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine

(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine (PubChem CID 139906386) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine
PubChem CID139906386
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine
SMILESNCc1cc(C2CCCCC2)c(-c2ccncn2)s1
InChIInChI=1S/C15H19N3S/c16-9-12-8-13(11-4-2-1-3-5-11)15(19-12)14-6-7-17-10-18-14/h6-8,10-11H,1-5,9,16H2
InChIKeyRRQKKHZVBAKJGG-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine?
The IUPAC name of (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine (CID 139906386) is (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine?
The canonical SMILES for (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine is NCc1cc(C2CCCCC2)c(-c2ccncn2)s1.
What is the InChIKey of (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine?
The InChIKey is RRQKKHZVBAKJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-9-12-8-13(11-4-2-1-3-5-11)15(19-12)14-6-7-17-10-18-14/h6-8,10-11H,1-5,9,16H2.
What are the key properties of (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine?
(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 139906386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).