2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C15H14ClN3S — CID 739934

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C15H14ClN3S/c1-10-7-11(2)19-8-13(18-15(19)17-10)9-20-14-5-3-12(16)4-6-14/h3-8H,9H2,1-2H3
InChIKeyHPXSDJCJKZQLRF-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.29
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 739934) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID739934
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C15H14ClN3S/c1-10-7-11(2)19-8-13(18-15(19)17-10)9-20-14-5-3-12(16)4-6-14/h3-8H,9H2,1-2H3
InChIKeyHPXSDJCJKZQLRF-UHFFFAOYSA-N
XLogP4.29
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 739934) is 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is HPXSDJCJKZQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-7-11(2)19-8-13(18-15(19)17-10)9-20-14-5-3-12(16)4-6-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 303.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 739934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).