2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine

C15H17ClFN3O — CID 80664925

IUPAC2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H17ClFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-11-4-5-13(17)12(16)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyRAQNZQFSUJQVGR-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.98
Rot. Bonds6

About 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80664925) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80664925
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H17ClFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-11-4-5-13(17)12(16)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyRAQNZQFSUJQVGR-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-fluorophenoxy)methyl]-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

Related Compounds

4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
[2-[(3-fluoro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575
6-methyl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654941
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 80664925) is 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is RAQNZQFSUJQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-6-18-14-7-10(2)19-15(20-14)9-21-11-4-5-13(17)12(16)8-11/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80664925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).