2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13ClFN3 — CID 62477954

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyRIULVGJCMHMTRN-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 62477954) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID62477954
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyRIULVGJCMHMTRN-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 62477954) is 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RIULVGJCMHMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62477954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).