4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

C13H10ClN3S — CID 2824220

IUPAC4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H10ClN3S/c1-7-9-6-8(14)2-3-11(9)18-12(7)10-4-5-16-13(15)17-10/h2-6H,1H3,(H2,15,16,17)
InChIKeyDFHSVWUBRNAPQU-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds1

About 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine

4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (PubChem CID 2824220) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
PubChem CID2824220
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine
SMILESCc1c(-c2ccnc(N)n2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H10ClN3S/c1-7-9-6-8(14)2-3-11(9)18-12(7)10-4-5-16-13(15)17-10/h2-6H,1H3,(H2,15,16,17)
InChIKeyDFHSVWUBRNAPQU-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
CID 447955
5-chloro-6-ethyl-N-[1-(3-methylbenzothiophen-2-yl)ethyl]pyrimidin-4-amine
CID 16076206
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 2739435
4-(5-Benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878396
4-[5-(1-Aminobutyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889390
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 53326402
9-chloro-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 3602968
5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(thiophen-2-yl)pyrimidin-2-amine
CID 44431450
4-[5-[Amino-(3-chlorophenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889348
4-[5-[Amino-(3-methylphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889386
4-[5-[Amino(phenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889387
4-[5-(1-Aminoethyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889388

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine (CID 2824220) is 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is Cc1c(-c2ccnc(N)n2)sc2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
The InChIKey is DFHSVWUBRNAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c1-7-9-6-8(14)2-3-11(9)18-12(7)10-4-5-16-13(15)17-10/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine?
4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine has a molecular weight of 275.76 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 2824220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).