6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine

C11H12ClN3S — CID 107361117

IUPAC6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)nc(C)n1
InChIInChI=1S/C11H12ClN3S/c1-3-13-10-6-9(14-7(2)15-10)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyAYUUXYAZATWTJB-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.60
Rot. Bonds3

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

6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 107361117) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID107361117
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)nc(C)n1
InChIInChI=1S/C11H12ClN3S/c1-3-13-10-6-9(14-7(2)15-10)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyAYUUXYAZATWTJB-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769719
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 107361086
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine
CID 79991020
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-ethyl-6-(3-methylthiophen-2-yl)pyrazin-2-amine
CID 79991659

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine (CID 107361117) is 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(-c2sccc2Cl)nc(C)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is AYUUXYAZATWTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-3-13-10-6-9(14-7(2)15-10)11-8(12)4-5-16-11/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine?
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.60, 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-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 107361117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).