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

C12H11N5S — CID 700171

IUPAC2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccnc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C12H11N5S/c1-9-3-5-14-12(15-9)18-8-10-7-17-6-2-4-13-11(17)16-10/h2-7H,8H2,1H3
InChIKeyRPDCSMBTBSUPKK-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.12
Rot. Bonds3

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

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 700171) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID700171
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccnc(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C12H11N5S/c1-9-3-5-14-12(15-9)18-8-10-7-17-6-2-4-13-11(17)16-10/h2-7H,8H2,1H3
InChIKeyRPDCSMBTBSUPKK-UHFFFAOYSA-N
XLogP2.12
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
CID 1046861
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 126477669
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787305
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4226828
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 700171) is 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1ccnc(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is RPDCSMBTBSUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-9-3-5-14-12(15-9)18-8-10-7-17-6-2-4-13-11(17)16-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 257.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 700171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).