N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine

C20H17ClN4S — CID 20851765

IUPACN-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCSc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H17ClN4S/c1-13-16(21)5-3-6-17(13)23-19-18(14-7-9-15(26-2)10-8-14)24-20-22-11-4-12-25(19)20/h3-12,23H,1-2H3
InChIKeyNYJRMUPWJRWUMQ-UHFFFAOYSA-N
MW380.90 g/mol
LogP5.82
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine

N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 20851765) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID20851765
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCSc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H17ClN4S/c1-13-16(21)5-3-6-17(13)23-19-18(14-7-9-15(26-2)10-8-14)24-20-22-11-4-12-25(19)20/h3-12,23H,1-2H3
InChIKeyNYJRMUPWJRWUMQ-UHFFFAOYSA-N
XLogP5.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 20851765) is N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine is CSc1ccc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is NYJRMUPWJRWUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c1-13-16(21)5-3-6-17(13)23-19-18(14-7-9-15(26-2)10-8-14)24-20-22-11-4-12-25(19)20/h3-12,23H,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 380.90 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 20851765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).