4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine

C14H13ClN2S — CID 80951185

IUPAC4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
SMILESCc1ccccc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13ClN2S/c1-9-4-2-3-5-11(9)18-13-8-12(15)16-14(17-13)10-6-7-10/h2-5,8,10H,6-7H2,1H3
InChIKeyAQZOPSSDTBIHRL-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine

4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine (PubChem CID 80951185) has the molecular formula C14H13ClN2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
PubChem CID80951185
Molecular FormulaC14H13ClN2S
Molecular Weight276.79 g/mol
Exact Mass276.05
IUPAC Name4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine
SMILESCc1ccccc1Sc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C14H13ClN2S/c1-9-4-2-3-5-11(9)18-13-8-12(15)16-14(17-13)10-6-7-10/h2-5,8,10H,6-7H2,1H3
InChIKeyAQZOPSSDTBIHRL-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(2,5-dimethylphenyl)sulfanylpyrimidine
CID 80951106
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
CID 80951761
4-chloro-2-cyclopropyl-6-propan-2-ylsulfanylpyrimidine
CID 80951552
6-(2-chlorophenyl)sulfanyl-2-cyclopropylpyrimidin-4-amine
CID 80963140
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
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-cyclopropylpyrimidine
CID 133432876
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
4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133432670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine (CID 80951185) is 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine is Cc1ccccc1Sc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine?
The InChIKey is AQZOPSSDTBIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2S/c1-9-4-2-3-5-11(9)18-13-8-12(15)16-14(17-13)10-6-7-10/h2-5,8,10H,6-7H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine?
4-chloro-2-cyclopropyl-6-(2-methylphenyl)sulfanylpyrimidine has a molecular weight of 276.79 g/mol, XLogP of 4.47, 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-methylphenyl)sulfanylpyrimidine is sourced from PubChem (CID 80951185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).