2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile

C11H9ClN4S — CID 106034899

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-6-15-11-14-5-3-8(7-13)16-11/h1-3,5H,4,6H2,(H,14,15,16)
InChIKeyXWXZQARAZFSXBR-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile

2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile (PubChem CID 106034899) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
PubChem CID106034899
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-6-15-11-14-5-3-8(7-13)16-11/h1-3,5H,4,6H2,(H,14,15,16)
InChIKeyXWXZQARAZFSXBR-UHFFFAOYSA-N
XLogP2.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 106034912
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103702670
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107544896
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
CID 107542986
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
3-[2-(5-chlorothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 106034984
4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 114139101

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile (CID 106034899) is 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile is N#Cc1ccnc(NCCc2ccc(Cl)s2)n1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is XWXZQARAZFSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-6-15-11-14-5-3-8(7-13)16-11/h1-3,5H,4,6H2,(H,14,15,16).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile?
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 106034899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).