5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine

C14H15F2N3O — CID 115505267

IUPAC5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-12(16)13(19-14)10-5-4-9(20-2)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVGRKGRRFVYOHTG-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.25
Rot. Bonds5

About 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine

5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine (PubChem CID 115505267) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
PubChem CID115505267
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-12(16)13(19-14)10-5-4-9(20-2)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVGRKGRRFVYOHTG-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
4-(1-ethylimidazol-4-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114272833
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
CID 113324952
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
N'-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)ethane-1,2-diamine
CID 103278870

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine (CID 115505267) is 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(-c2ccc(OC)cc2F)n1.
What is the InChIKey of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine?
The InChIKey is VGRKGRRFVYOHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-6-17-14-18-8-12(16)13(19-14)10-5-4-9(20-2)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine has a molecular weight of 279.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 115505267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).