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

C15H17ClFN3O — CID 116689913

IUPAC2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2cccc(Cl)c2F)n1
InChIInChI=1S/C15H17ClFN3O/c1-3-7-18-13-8-10(2)19-14(20-13)9-21-12-6-4-5-11(16)15(12)17/h4-6,8H,3,7,9H2,1-2H3,(H,18,19,20)
InChIKeyHBOUKXPGLWPCBT-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.98
Rot. Bonds6

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

2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116689913) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116689913
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COc2cccc(Cl)c2F)n1
InChIInChI=1S/C15H17ClFN3O/c1-3-7-18-13-8-10(2)19-14(20-13)9-21-12-6-4-5-11(16)15(12)17/h4-6,8H,3,7,9H2,1-2H3,(H,18,19,20)
InChIKeyHBOUKXPGLWPCBT-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

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Related Compounds

2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 116689913) is 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is HBOUKXPGLWPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-7-18-13-8-10(2)19-14(20-13)9-21-12-6-4-5-11(16)15(12)17/h4-6,8H,3,7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(3-chloro-2-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-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).