6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine

C10H10ClN3S — CID 80936731

IUPAC6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccsc2)n1
InChIInChI=1S/C10H10ClN3S/c1-2-9-13-8(11)5-10(14-9)12-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyORMVUJJWLZINOA-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.50
Rot. Bonds3

About 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine

6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine (PubChem CID 80936731) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
PubChem CID80936731
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccsc2)n1
InChIInChI=1S/C10H10ClN3S/c1-2-9-13-8(11)5-10(14-9)12-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyORMVUJJWLZINOA-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-(chloromethyl)-1,3-thiazol-2-amine
CID 108778532
6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
CID 112559672
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine (CID 80936731) is 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccsc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is ORMVUJJWLZINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-2-9-13-8(11)5-10(14-9)12-7-3-4-15-6-7/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine?
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 239.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80936731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).