5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C12H12F2N4 — CID 80817456

IUPAC5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)c2ccccc2F)n1
InChIInChI=1S/C12H12F2N4/c1-15-12-16-7-9(14)11(17-12)18(2)10-6-4-3-5-8(10)13/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQMBGJMLNNRHPDZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80817456) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80817456
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)c2ccccc2F)n1
InChIInChI=1S/C12H12F2N4/c1-15-12-16-7-9(14)11(17-12)18(2)10-6-4-3-5-8(10)13/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQMBGJMLNNRHPDZ-UHFFFAOYSA-N
XLogP2.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80908250
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-N-(2-fluorophenyl)-3-N,5-N-dimethylpyridine-3,5-diamine
CID 104534108
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294818
5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851704
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 80767185
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 103192486
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80817456) is 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)c2ccccc2F)n1.
What is the InChIKey of 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is QMBGJMLNNRHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-15-12-16-7-9(14)11(17-12)18(2)10-6-4-3-5-8(10)13/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).