2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

C12H10Cl2FN3 — CID 114076281

IUPAC2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Cl)nc(C)c1F
InChIInChI=1S/C12H10Cl2FN3/c1-6-10(15)12(16-2)18-11(17-6)8-5-7(13)3-4-9(8)14/h3-5H,1-2H3,(H,16,17,18)
InChIKeyZNBWSNAKIHVZJX-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.94
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine

2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (PubChem CID 114076281) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
PubChem CID114076281
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Cl)ccc2Cl)nc(C)c1F
InChIInChI=1S/C12H10Cl2FN3/c1-6-10(15)12(16-2)18-11(17-6)8-5-7(13)3-4-9(8)14/h3-5H,1-2H3,(H,16,17,18)
InChIKeyZNBWSNAKIHVZJX-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 83093937
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66160720
[2-(4-chloro-3-fluorophenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000257
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
5-fluoro-N,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66000214
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885
2-(4-ethylsulfanylphenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106849543
5-fluoro-N,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 113329095
7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 64981111

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine (CID 114076281) is 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(Cl)ccc2Cl)nc(C)c1F.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ZNBWSNAKIHVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c1-6-10(15)12(16-2)18-11(17-6)8-5-7(13)3-4-9(8)14/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine?
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 286.14 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 114076281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).