N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

C18H19N5S — CID 95800139

IUPACN-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NC3CCCCC3)ncc2-c2cnccn2)c1
InChIInChI=1S/C18H19N5S/c1-2-5-13(6-3-1)22-18-21-11-14(15-12-19-8-9-20-15)17(23-18)16-7-4-10-24-16/h4,7-13H,1-3,5-6H2,(H,21,22,23)
InChIKeyXUPAJWXXLCULNA-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.41
Rot. Bonds4

About N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine

N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 95800139) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID95800139
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC NameN-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1csc(-c2nc(NC3CCCCC3)ncc2-c2cnccn2)c1
InChIInChI=1S/C18H19N5S/c1-2-5-13(6-3-1)22-18-21-11-14(15-12-19-8-9-20-15)17(23-18)16-7-4-10-24-16/h4,7-13H,1-3,5-6H2,(H,21,22,23)
InChIKeyXUPAJWXXLCULNA-UHFFFAOYSA-N
XLogP4.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine (CID 95800139) is N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is c1csc(-c2nc(NC3CCCCC3)ncc2-c2cnccn2)c1.
What is the InChIKey of N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is XUPAJWXXLCULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-2-5-13(6-3-1)22-18-21-11-14(15-12-19-8-9-20-15)17(23-18)16-7-4-10-24-16/h4,7-13H,1-3,5-6H2,(H,21,22,23).
What are the key properties of N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine?
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 337.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95800139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).