6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine

C10H10ClN3S — CID 107361052

IUPAC6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)ncn1
InChIInChI=1S/C10H10ClN3S/c1-2-12-9-5-8(13-6-14-9)10-7(11)3-4-15-10/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeySZYPMZIZLZWRAH-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.29
Rot. Bonds3

About 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine

6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine (PubChem CID 107361052) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
PubChem CID107361052
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)ncn1
InChIInChI=1S/C10H10ClN3S/c1-2-12-9-5-8(13-6-14-9)10-7(11)3-4-15-10/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeySZYPMZIZLZWRAH-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
4-chloro-2-(3-chlorothiophen-2-yl)pyridine
CID 107360947
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 107361086
N-ethyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81221755
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781298

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine (CID 107361052) is 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine is CCNc1cc(-c2sccc2Cl)ncn1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is SZYPMZIZLZWRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-2-12-9-5-8(13-6-14-9)10-7(11)3-4-15-10/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine?
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 239.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 107361052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).