4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine

C15H15ClN2S — CID 66087347

IUPAC4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2S/c1-10-3-2-4-12(7-10)19-9-15-17-13(11-5-6-11)8-14(16)18-15/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyNGEFVTDMECENGV-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.61
Rot. Bonds4

About 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine

4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine (PubChem CID 66087347) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
PubChem CID66087347
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
SMILESCc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C15H15ClN2S/c1-10-3-2-4-12(7-10)19-9-15-17-13(11-5-6-11)8-14(16)18-15/h2-4,7-8,11H,5-6,9H2,1H3
InChIKeyNGEFVTDMECENGV-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine (CID 66087347) is 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine is Cc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine?
The InChIKey is NGEFVTDMECENGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10-3-2-4-12(7-10)19-9-15-17-13(11-5-6-11)8-14(16)18-15/h2-4,7-8,11H,5-6,9H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine?
4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine has a molecular weight of 290.82 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 66087347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).