4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine

C15H18FN3O — CID 80864481

IUPAC4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cccc(C)c2C)n1
InChIInChI=1S/C15H18FN3O/c1-4-8-17-15-18-9-12(16)14(19-15)20-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyKXGDNIHEMNWHSI-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.85
Rot. Bonds5

About 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine

4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine (PubChem CID 80864481) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
PubChem CID80864481
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Oc2cccc(C)c2C)n1
InChIInChI=1S/C15H18FN3O/c1-4-8-17-15-18-9-12(16)14(19-15)20-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyKXGDNIHEMNWHSI-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

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Related Compounds

4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662517
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
N-ethyl-5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875908
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
6-(2,3-dimethylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865514
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine (CID 80864481) is 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(Oc2cccc(C)c2C)n1.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
The InChIKey is KXGDNIHEMNWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-8-17-15-18-9-12(16)14(19-15)20-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine?
4-(2,3-dimethylphenoxy)-5-fluoro-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-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).