2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C13H13N5S — CID 694266

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)nc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C13H13N5S/c1-9-6-10(2)16-13(15-9)19-8-11-7-18-5-3-4-14-12(18)17-11/h3-7H,8H2,1-2H3
InChIKeyLBFVUBYSYPRCDE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.43
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 694266) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID694266
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)nc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C13H13N5S/c1-9-6-10(2)16-13(15-9)19-8-11-7-18-5-3-4-14-12(18)17-11/h3-7H,8H2,1-2H3
InChIKeyLBFVUBYSYPRCDE-UHFFFAOYSA-N
XLogP2.43
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
3-Bromo-2-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 1548111
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 3000019
3-Bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5-Methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4176722
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
CID 776109

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 694266) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)nc(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is LBFVUBYSYPRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-9-6-10(2)16-13(15-9)19-8-11-7-18-5-3-4-14-12(18)17-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 271.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 694266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).