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

C20H18F2N6 — CID 23727894

IUPAC4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3F)nc2c1
InChIInChI=1S/C20H18F2N6/c1-27(2)11-12-6-8-28-17(9-12)26-18(14-4-3-13(21)10-15(14)22)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25)
InChIKeyWCBRDLGHQPXONG-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.38
Rot. Bonds4

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

4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 23727894) has the molecular formula C20H18F2N6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID23727894
Molecular FormulaC20H18F2N6
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3F)nc2c1
InChIInChI=1S/C20H18F2N6/c1-27(2)11-12-6-8-28-17(9-12)26-18(14-4-3-13(21)10-15(14)22)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25)
InChIKeyWCBRDLGHQPXONG-UHFFFAOYSA-N
XLogP3.38
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 23727894) is 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3F)nc2c1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is WCBRDLGHQPXONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6/c1-27(2)11-12-6-8-28-17(9-12)26-18(14-4-3-13(21)10-15(14)22)19(28)16-5-7-24-20(23)25-16/h3-10H,11H2,1-2H3,(H2,23,24,25).
What are the key properties of 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 380.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 23727894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).