4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine

C14H15F2N3O — CID 80875789

IUPAC4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-9(2)13(19-14)20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDRLHIAIGTQBELH-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.68
Rot. Bonds5

About 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine

4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80875789) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80875789
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-9(2)13(19-14)20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDRLHIAIGTQBELH-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine (CID 80875789) is 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is DRLHIAIGTQBELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-9(2)13(19-14)20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine?
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 279.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80875789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).