5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C19H19N5S — CID 44548780

IUPAC5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyPHRXKMLPVHCGBS-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.04
Rot. Bonds4

About 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 44548780) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID44548780
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyPHRXKMLPVHCGBS-UHFFFAOYSA-N
XLogP4.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 44548780) is 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is PHRXKMLPVHCGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-13-9-14(2)24-10-16(21-18(24)20-13)12-25-19-22-17(11-23(19)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 349.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 44548780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).