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

C21H18ClFN4O — CID 11696912

IUPAC[5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1
InChIInChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
InChIKeyLMLCTSYWNQYECG-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.63
Rot. Bonds4

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

[5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (PubChem CID 11696912) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
PubChem CID11696912
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC Name[5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1
InChIInChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3
InChIKeyLMLCTSYWNQYECG-UHFFFAOYSA-N
XLogP4.63
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine (CID 11696912) is [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is COc1ccccc1-c1cn2c(-c3ccc(Cl)c(F)c3)c(CN)c(C)nc2n1.
What is the InChIKey of [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
The InChIKey is LMLCTSYWNQYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-12-15(10-24)20(13-7-8-16(22)17(23)9-13)27-11-18(26-21(27)25-12)14-5-3-4-6-19(14)28-2/h3-9,11H,10,24H2,1-2H3.
What are the key properties of [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine?
[5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine has a molecular weight of 396.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11696912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).