6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

C14H15F2N3O — CID 80988630

IUPAC6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyYFDMJQWMSGLBJS-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.39
Rot. Bonds4

About 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine

6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80988630) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80988630
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyYFDMJQWMSGLBJS-UHFFFAOYSA-N
XLogP3.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
5-methyl-2-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80989825
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
6-(2-chloro-4-fluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988993
6-(3-chloro-4-fluorophenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991039
6-butoxy-5-methyl-2-propylpyrimidin-4-amine
CID 80989223
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80991140
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988067

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80988630) is 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Oc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is YFDMJQWMSGLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-4-12-18-13(17)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80988630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).