4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine

C13H15FN4 — CID 80818514

IUPAC4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccccc2F)nc(C)n1
InChIInChI=1S/C13H15FN4/c1-9-16-12(15-2)8-13(17-9)18(3)11-7-5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16,17)
InChIKeyNJHCTMQJXNNXRO-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.73
Rot. Bonds3

About 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine

4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 80818514) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID80818514
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2ccccc2F)nc(C)n1
InChIInChI=1S/C13H15FN4/c1-9-16-12(15-2)8-13(17-9)18(3)11-7-5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16,17)
InChIKeyNJHCTMQJXNNXRO-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718253
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80817435
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
6-N-ethyl-4-N-(2-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80816866
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 80955643
5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534108
6-chloro-N-(2-fluorophenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 63728003
1-[(2S)-2-[6-(2-fluoro-N-methylanilino)-2-methylpyrimidin-4-yl]morpholin-4-yl]ethanone
CID 124939926
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine (CID 80818514) is 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is CNc1cc(N(C)c2ccccc2F)nc(C)n1.
What is the InChIKey of 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is NJHCTMQJXNNXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-16-12(15-2)8-13(17-9)18(3)11-7-5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluorophenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).