2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine

C12H14ClN3S — CID 116892646

IUPAC2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-7-9(10-3-4-11(13)17-10)16-12(15-8)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyYFKGQKDAOHZKQA-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.93
Rot. Bonds4

About 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine

2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine (PubChem CID 116892646) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
PubChem CID116892646
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nc(C)cc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C12H14ClN3S/c1-8-7-9(10-3-4-11(13)17-10)16-12(15-8)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyYFKGQKDAOHZKQA-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892641
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892653
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
N-methyl-3-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 116892926
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610127
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
CID 130834174
2-(4-chloro-6-methylquinazolin-2-yl)-N-methylethanamine
CID 105497222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine (CID 116892646) is 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine is CNCCc1nc(C)cc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
The InChIKey is YFKGQKDAOHZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-8-7-9(10-3-4-11(13)17-10)16-12(15-8)5-6-14-2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine?
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine has a molecular weight of 267.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116892646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).