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

C21H21FN6 — CID 142199127

IUPAC4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3cc(CN(C)C)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C21H21FN6/c1-13-4-5-15(16(22)10-13)19-20(17-6-8-24-21(23)25-17)28-9-7-14(12-27(2)3)11-18(28)26-19/h4-11H,12H2,1-3H3,(H2,23,24,25)
InChIKeyDVGNYWHKCWJSEN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds4

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

4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 142199127) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID142199127
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3cc(CN(C)C)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C21H21FN6/c1-13-4-5-15(16(22)10-13)19-20(17-6-8-24-21(23)25-17)28-9-7-14(12-27(2)3)11-18(28)26-19/h4-11H,12H2,1-3H3,(H2,23,24,25)
InChIKeyDVGNYWHKCWJSEN-UHFFFAOYSA-N
XLogP3.55
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 142199127) is 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Cc1ccc(-c2nc3cc(CN(C)C)ccn3c2-c2ccnc(N)n2)c(F)c1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is DVGNYWHKCWJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-13-4-5-15(16(22)10-13)19-20(17-6-8-24-21(23)25-17)28-9-7-14(12-27(2)3)11-18(28)26-19/h4-11H,12H2,1-3H3,(H2,23,24,25).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 376.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 142199127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).