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

C23H27FN6 — CID 142199126

IUPAC4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane
SMILESCC.Cc1ccc(-c2nc3cc(CN(C)C)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C21H21FN6.C2H6/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;1-2/h4-11H,12H2,1-3H3,(H2,23,24,25);1-2H3
InChIKeyVETSOZTVLWFGKV-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.58
Rot. Bonds4

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

4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane (PubChem CID 142199126) has the molecular formula C23H27FN6 and a molecular weight of 406.51 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;ethane.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane
PubChem CID142199126
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane
SMILESCC.Cc1ccc(-c2nc3cc(CN(C)C)ccn3c2-c2ccnc(N)n2)c(F)c1
InChIInChI=1S/C21H21FN6.C2H6/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;1-2/h4-11H,12H2,1-3H3,(H2,23,24,25);1-2H3
InChIKeyVETSOZTVLWFGKV-UHFFFAOYSA-N
XLogP4.58
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.58
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;ethane?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane (CID 142199126) is 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane.
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;ethane?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane is CC.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;ethane?
The InChIKey is VETSOZTVLWFGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6.C2H6/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;1-2/h4-11H,12H2,1-3H3,(H2,23,24,25);1-2H3.
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;ethane?
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane has a molecular weight of 406.51 g/mol, XLogP of 4.58, 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;ethane is sourced from PubChem (CID 142199126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).