6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

C13H15FN4 — CID 90189659

IUPAC6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1
InChIInChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyLBPIDQSWAZPHFQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.52
Rot. Bonds2

About 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 90189659) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID90189659
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1
InChIInChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18)
InChIKeyLBPIDQSWAZPHFQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
6-(3,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189196
6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 174775792
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
3-[2-amino-6-(methylamino)pyrimidin-4-yl]-2-methylbenzonitrile;6-chloro-4-N-methylpyrimidine-2,4-diamine
CID 160659607
4-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 90189543
6-[3,5-bis(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 90189586
4-N-(2-amino-2-methylpropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 90189616
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-methylphenyl]prop-2-enamide
CID 118642231
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502956

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 90189659) is 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc(F)c(C)c2C)nc(N)n1.
What is the InChIKey of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is LBPIDQSWAZPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-7-8(2)10(14)5-4-9(7)11-6-12(16-3)18-13(15)17-11/h4-6H,1-3H3,(H3,15,16,17,18).
What are the key properties of 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2,3-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 90189659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).