6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine

C14H16FN3 — CID 79689981

IUPAC6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(C)cc(F)c2)ncn1
InChIInChI=1S/C14H16FN3/c1-3-4-16-14-8-13(17-9-18-14)11-5-10(2)6-12(15)7-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyCHJJUJKVNCAFRH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.41
Rot. Bonds4

About 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine

6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 79689981) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID79689981
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(C)cc(F)c2)ncn1
InChIInChI=1S/C14H16FN3/c1-3-4-16-14-8-13(17-9-18-14)11-5-10(2)6-12(15)7-11/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyCHJJUJKVNCAFRH-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoro-5-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 79691423
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80855507
6-(3-fluoro-5-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 79691420
2-[[6-(3-fluoro-5-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]ethanol
CID 74234848
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
6-(2-methyl-1H-imidazol-5-yl)-N-propylpyrimidin-4-amine
CID 134214075
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
CID 118033881
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
CID 116506983
6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 114283482
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
CID 79691232

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine (CID 79689981) is 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cc(C)cc(F)c2)ncn1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is CHJJUJKVNCAFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-4-16-14-8-13(17-9-18-14)11-5-10(2)6-12(15)7-11/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).