2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine

C18H15ClN4S — CID 15990315

IUPAC2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(Cl)s2)nc2ncccn12
InChIInChI=1S/C18H15ClN4S/c1-11-5-3-6-12(2)15(11)21-17-16(13-7-8-14(19)24-13)22-18-20-9-4-10-23(17)18/h3-10,21H,1-2H3
InChIKeyKUCWFPIBPQNEMR-UHFFFAOYSA-N
MW354.87 g/mol
LogP5.47
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine

2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 15990315) has the molecular formula C18H15ClN4S and a molecular weight of 354.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID15990315
Molecular FormulaC18H15ClN4S
Molecular Weight354.87 g/mol
Exact Mass354.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cccc(C)c1Nc1c(-c2ccc(Cl)s2)nc2ncccn12
InChIInChI=1S/C18H15ClN4S/c1-11-5-3-6-12(2)15(11)21-17-16(13-7-8-14(19)24-13)22-18-20-9-4-10-23(17)18/h3-10,21H,1-2H3
InChIKeyKUCWFPIBPQNEMR-UHFFFAOYSA-N
XLogP5.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.87
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 15990315) is 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine is Cc1cccc(C)c1Nc1c(-c2ccc(Cl)s2)nc2ncccn12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is KUCWFPIBPQNEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4S/c1-11-5-3-6-12(2)15(11)21-17-16(13-7-8-14(19)24-13)22-18-20-9-4-10-23(17)18/h3-10,21H,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 354.87 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2,6-dimethylphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 15990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).