4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine

C11H12ClN3S — CID 107361086

IUPAC4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2sccc2Cl)n1
InChIInChI=1S/C11H12ClN3S/c1-3-13-11-14-6-7(2)9(15-11)10-8(12)4-5-16-10/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMXDBSHUPRMPNGJ-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.60
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine

4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 107361086) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID107361086
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(-c2sccc2Cl)n1
InChIInChI=1S/C11H12ClN3S/c1-3-13-11-14-6-7(2)9(15-11)10-8(12)4-5-16-10/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMXDBSHUPRMPNGJ-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

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Related Compounds

2-chloro-4-(3-chlorothiophen-2-yl)-5-methylpyrimidine
CID 107360951
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
CID 107360998
4-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 106763725
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
N-ethyl-4-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-2-amine
CID 103434552
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine (CID 107361086) is 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(-c2sccc2Cl)n1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is MXDBSHUPRMPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-3-13-11-14-6-7(2)9(15-11)10-8(12)4-5-16-10/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine?
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-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 4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 107361086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).