4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine

C13H15ClN2S — CID 54977971

IUPAC4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3
InChIKeyDUXBGXSSUAJINY-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine

4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine (PubChem CID 54977971) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
PubChem CID54977971
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3
InChIKeyDUXBGXSSUAJINY-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
CID 447955
4-Chloro-2-(thiophen-2-yl)quinazoline
CID 2090994
4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine
CID 1486730
4-Chlorophenyl (6-chloro-2-phenyl-4-pyrimidinyl)methyl sulfide
CID 2765529
4-(4-Chlorophenyl)-2-propan-2-yl-7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134788912
[4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]boronic acid
CID 90112233
4-Chloro-6-(thiophen-2-yl)pyrimidine
CID 24902111
4-Chloro-2-ethyl-7-methylthieno(3,2-d)pyrimidine
CID 130051346
2-Isobutylsulfanyl-4-chloro-6-(2-thienyl)pyrimidine-5-carbonitrile
CID 507177
4-Chloro-2-(thiophen-3-yl)quinazoline
CID 9291133
2-(4-Chlorophenyl)-4-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 2807385
4-(4-Chlorophenyl)-2-ethyl-7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134793479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine (CID 54977971) is 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine is Cc1cc(-c2nc(Cl)cc(C(C)C)n2)c(C)s1.
What is the InChIKey of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
The InChIKey is DUXBGXSSUAJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-7(2)11-6-12(14)16-13(15-11)10-5-8(3)17-9(10)4/h5-7H,1-4H3.
What are the key properties of 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine has a molecular weight of 266.80 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 54977971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).