2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C15H17ClFN3O — CID 104818259

IUPAC2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2OC)nc(C)c1F
InChIInChI=1S/C15H17ClFN3O/c1-4-8-18-15-13(17)9(2)19-14(20-15)12-10(16)6-5-7-11(12)21-3/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyFICDMTSVQBZJTR-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 104818259) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID104818259
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2c(Cl)cccc2OC)nc(C)c1F
InChIInChI=1S/C15H17ClFN3O/c1-4-8-18-15-13(17)9(2)19-14(20-15)12-10(16)6-5-7-11(12)21-3/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyFICDMTSVQBZJTR-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-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-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 104818259) is 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2c(Cl)cccc2OC)nc(C)c1F.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is FICDMTSVQBZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-4-8-18-15-13(17)9(2)19-14(20-15)12-10(16)6-5-7-11(12)21-3/h5-7H,4,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104818259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).