4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline

C15H11N5S — CID 2997679

IUPAC4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
SMILESc1ccc2c(SCc3cn4cccnc4n3)ncnc2c1
InChIInChI=1S/C15H11N5S/c1-2-5-13-12(4-1)14(18-10-17-13)21-9-11-8-20-7-3-6-16-15(20)19-11/h1-8,10H,9H2
InChIKeyGEBZKWOJZFSOJI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.96
Rot. Bonds3

About 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline

4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline (PubChem CID 2997679) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
PubChem CID2997679
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
SMILESc1ccc2c(SCc3cn4cccnc4n3)ncnc2c1
InChIInChI=1S/C15H11N5S/c1-2-5-13-12(4-1)14(18-10-17-13)21-9-11-8-20-7-3-6-16-15(20)19-11/h1-8,10H,9H2
InChIKeyGEBZKWOJZFSOJI-UHFFFAOYSA-N
XLogP2.96
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
4-(quinolin-2-ylmethylsulfanyl)quinazoline
CID 6919194
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929348
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 126477669
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline?
The IUPAC name of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline (CID 2997679) is 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline.
What is the SMILES notation for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline?
The canonical SMILES for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline is c1ccc2c(SCc3cn4cccnc4n3)ncnc2c1.
What is the InChIKey of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline?
The InChIKey is GEBZKWOJZFSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-5-13-12(4-1)14(18-10-17-13)21-9-11-8-20-7-3-6-16-15(20)19-11/h1-8,10H,9H2.
What are the key properties of 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline?
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline has a molecular weight of 293.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline is sourced from PubChem (CID 2997679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).