N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

C14H16FN3 — CID 60726849

IUPACN-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-9-8-10(2)17-14(16-9)18-11(3)12-4-6-13(15)7-5-12/h4-8,11H,1-3H3,(H,16,17,18)
InChIKeySNHQGFKELZPICJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.41
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 60726849) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID60726849
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3/c1-9-8-10(2)17-14(16-9)18-11(3)12-4-6-13(15)7-5-12/h4-8,11H,1-3H3,(H,16,17,18)
InChIKeySNHQGFKELZPICJ-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879787
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(4-methylimidazol-1-yl)pyrimidin-2-amine
CID 86659400
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80784400
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181525

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 60726849) is N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SNHQGFKELZPICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-8-10(2)17-14(16-9)18-11(3)12-4-6-13(15)7-5-12/h4-8,11H,1-3H3,(H,16,17,18).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 60726849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).