2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C15H18N4O2S — CID 53193235

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc2n(c(=O)c1C)CCN2CC(=O)NCc1cccs1
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)17-15-18(5-6-19(15)14(10)21)9-13(20)16-8-12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyPUNQTZGBDNFFPT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.06
Rot. Bonds4

About 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53193235) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53193235
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1nc2n(c(=O)c1C)CCN2CC(=O)NCc1cccs1
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)17-15-18(5-6-19(15)14(10)21)9-13(20)16-8-12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)
InChIKeyPUNQTZGBDNFFPT-UHFFFAOYSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 53193235) is 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1nc2n(c(=O)c1C)CCN2CC(=O)NCc1cccs1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PUNQTZGBDNFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-11(2)17-15-18(5-6-19(15)14(10)21)9-13(20)16-8-12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53193235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).