N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine

C12H12FN3 — CID 16876812

IUPACN-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C12H12FN3/c1-8-7-12(15-9(2)14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyBCNALZNCCYNAEU-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.98
Rot. Bonds2

About N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine

N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 16876812) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID16876812
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C12H12FN3/c1-8-7-12(15-9(2)14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyBCNALZNCCYNAEU-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
6-(difluoromethyl)-N-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 154882758
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
N-(2-fluorophenyl)-6-methylpyridin-2-amine
CID 142686342

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine (CID 16876812) is N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine is Cc1cc(Nc2ccccc2F)nc(C)n1.
What is the InChIKey of N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is BCNALZNCCYNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-7-12(15-9(2)14-8)16-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine?
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 217.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 16876812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).