N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine

C15H13ClFN5 — CID 166628765

IUPACN-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1cn(-c2nc(C)cc(Nc3cc(Cl)ccc3F)n2)cn1
InChIInChI=1S/C15H13ClFN5/c1-9-5-14(20-13-6-11(16)3-4-12(13)17)21-15(19-9)22-7-10(2)18-8-22/h3-8H,1-2H3,(H,19,20,21)
InChIKeyBBLPXMBZNANAIT-UHFFFAOYSA-N
MW317.76 g/mol
LogP3.82
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine

N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine (PubChem CID 166628765) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine
PubChem CID166628765
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1cn(-c2nc(C)cc(Nc3cc(Cl)ccc3F)n2)cn1
InChIInChI=1S/C15H13ClFN5/c1-9-5-14(20-13-6-11(16)3-4-12(13)17)21-15(19-9)22-7-10(2)18-8-22/h3-8H,1-2H3,(H,19,20,21)
InChIKeyBBLPXMBZNANAIT-UHFFFAOYSA-N
XLogP3.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine (CID 166628765) is N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine is Cc1cn(-c2nc(C)cc(Nc3cc(Cl)ccc3F)n2)cn1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is BBLPXMBZNANAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5/c1-9-5-14(20-13-6-11(16)3-4-12(13)17)21-15(19-9)22-7-10(2)18-8-22/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine?
N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 317.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-6-methyl-2-(4-methylimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 166628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).