4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine

C15H15ClN2S — CID 80951106

IUPAC4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
SMILESCc1ccc(C)c(Sc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)12(7-9)19-14-8-13(16)17-15(18-14)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyKGFRPTHAPOXBPJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.78
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine

4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine (PubChem CID 80951106) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
PubChem CID80951106
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
SMILESCc1ccc(C)c(Sc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2S/c1-9-3-4-10(2)12(7-9)19-14-8-13(16)17-15(18-14)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyKGFRPTHAPOXBPJ-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
CID 80951185
4-chloro-6-(2,5-dimethylphenyl)sulfanyl-2-propan-2-ylpyrimidine
CID 80951032
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525456
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-3-methoxyphenyl]ethanone
CID 133421952
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 103880271
4-chloro-2-cyclopropyl-6-(1-propan-2-yltetrazol-5-yl)sulfanylpyrimidine
CID 133432419
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
CID 80963140
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
2,4-dichloro-6-(2,5-dimethylphenyl)sulfanyl-1,3,5-triazine
CID 62869932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine (CID 80951106) is 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine is Cc1ccc(C)c(Sc2cc(Cl)nc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine?
The InChIKey is KGFRPTHAPOXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-9-3-4-10(2)12(7-9)19-14-8-13(16)17-15(18-14)11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine?
4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine has a molecular weight of 290.82 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 80951106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).