4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

C15H18FN3O — CID 102989227

IUPAC4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cc(F)ccc2C)n1
InChIInChI=1S/C15H18FN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-8-12(16)6-5-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyVYFDFGJIZDMEKO-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.85
Rot. Bonds5

About 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine

4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 102989227) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID102989227
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2cc(F)ccc2C)n1
InChIInChI=1S/C15H18FN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-8-12(16)6-5-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyVYFDFGJIZDMEKO-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-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-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 105396175
4-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 81346874

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine (CID 102989227) is 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2cc(F)ccc2C)n1.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is VYFDFGJIZDMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-7-17-15-18-9-11(3)14(19-15)20-13-8-12(16)6-5-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine?
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102989227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).