N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine

C18H15ClN4S — CID 7066889

IUPACN-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3ccc(Cl)cc3)c(-c3ccsc3)nc2n1
InChIInChI=1S/C18H15ClN4S/c1-11-9-12(2)23-17(21-15-5-3-14(19)4-6-15)16(22-18(23)20-11)13-7-8-24-10-13/h3-10,21H,1-2H3
InChIKeyYVUASCBMTNYLKZ-UHFFFAOYSA-N
MW354.87 g/mol
LogP5.47
Rot. Bonds3

About N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine

N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 7066889) has the molecular formula C18H15ClN4S and a molecular weight of 354.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID7066889
Molecular FormulaC18H15ClN4S
Molecular Weight354.87 g/mol
Exact Mass354.07
IUPAC NameN-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3ccc(Cl)cc3)c(-c3ccsc3)nc2n1
InChIInChI=1S/C18H15ClN4S/c1-11-9-12(2)23-17(21-15-5-3-14(19)4-6-15)16(22-18(23)20-11)13-7-8-24-10-13/h3-10,21H,1-2H3
InChIKeyYVUASCBMTNYLKZ-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 N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine (CID 7066889) is N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is Cc1cc(C)n2c(Nc3ccc(Cl)cc3)c(-c3ccsc3)nc2n1.
What is the InChIKey of N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is YVUASCBMTNYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4S/c1-11-9-12(2)23-17(21-15-5-3-14(19)4-6-15)16(22-18(23)20-11)13-7-8-24-10-13/h3-10,21H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine?
N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[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 N-(4-chlorophenyl)-5,7-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 7066889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).