2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one

C14H15N5OS — CID 137316118

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-2-4-10-7-12(20)18-14(17-10)21-9-11-8-19-6-3-5-15-13(19)16-11/h3,5-8H,2,4,9H2,1H3,(H,17,18,20)
InChIKeyZQTBAOQAMWMXNO-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds5

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 137316118) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID137316118
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-2-4-10-7-12(20)18-14(17-10)21-9-11-8-19-6-3-5-15-13(19)16-11/h3,5-8H,2,4,9H2,1H3,(H,17,18,20)
InChIKeyZQTBAOQAMWMXNO-UHFFFAOYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one (CID 137316118) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is ZQTBAOQAMWMXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-4-10-7-12(20)18-14(17-10)21-9-11-8-19-6-3-5-15-13(19)16-11/h3,5-8H,2,4,9H2,1H3,(H,17,18,20).
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137316118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).