6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine

C14H16FN3 — CID 113324439

IUPAC6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C14H16FN3/c1-8-5-6-11(7-12(8)15)13-9(2)14(16-4)18-10(3)17-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyLTRYJOJMJBSNNN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.25
Rot. Bonds2

About 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine

6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 113324439) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID113324439
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(C)c(F)c2)c1C
InChIInChI=1S/C14H16FN3/c1-8-5-6-11(7-12(8)15)13-9(2)14(16-4)18-10(3)17-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyLTRYJOJMJBSNNN-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
CID 115503288
6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 79712175
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
5-ethyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502644
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978703
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
5-(3-fluoro-4-methylphenyl)-4-methyl-2-(methylamino)pyridine-3-carboxamide
CID 176694640
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
4-(3-fluoro-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 63867429

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine (CID 113324439) is 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(-c2ccc(C)c(F)c2)c1C.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is LTRYJOJMJBSNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-8-5-6-11(7-12(8)15)13-9(2)14(16-4)18-10(3)17-13/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine?
6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 113324439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).