4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C20H19ClN6 — CID 24745380

IUPAC4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H19ClN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)
InChIKeyPCVVZFXEMFAXCJ-UHFFFAOYSA-N
MW378.87 g/mol
LogP3.76
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24745380) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24745380
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC Name4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C20H19ClN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24)
InChIKeyPCVVZFXEMFAXCJ-UHFFFAOYSA-N
XLogP3.76
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine 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 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24745380) is 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is PCVVZFXEMFAXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6/c1-26(2)12-13-8-10-27-17(11-13)25-18(14-3-5-15(21)6-4-14)19(27)16-7-9-23-20(22)24-16/h3-11H,12H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 378.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24745380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).