[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

C22H21FN4O — CID 11696495

IUPAC[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1
InChIInChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3
InChIKeyFSDYNCFUOXFLKJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.29
Rot. Bonds4

About [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine

[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11696495) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11696495
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1
InChIInChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3
InChIKeyFSDYNCFUOXFLKJ-UHFFFAOYSA-N
XLogP4.29
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11696495) is [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1.
What is the InChIKey of [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is FSDYNCFUOXFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-13-8-9-15(10-18(13)23)21-17(11-24)14(2)25-22-26-19(12-27(21)22)16-6-4-5-7-20(16)28-3/h4-10,12H,11,24H2,1-3H3.
What are the key properties of [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 376.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11696495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).