4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine

C13H14F2N4O — CID 82822681

IUPAC4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2c(F)ccc(C)c2F)c1OC
InChIInChI=1S/C13H14F2N4O/c1-7-4-5-8(14)10(9(7)15)19-13-11(20-3)12(16-2)17-6-18-13/h4-6H,1-3H3,(H2,16,17,18,19)
InChIKeyHTRQDVPLFDIGJS-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.86
Rot. Bonds4

About 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine

4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine (PubChem CID 82822681) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
PubChem CID82822681
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2c(F)ccc(C)c2F)c1OC
InChIInChI=1S/C13H14F2N4O/c1-7-4-5-8(14)10(9(7)15)19-13-11(20-3)12(16-2)17-6-18-13/h4-6H,1-3H3,(H2,16,17,18,19)
InChIKeyHTRQDVPLFDIGJS-UHFFFAOYSA-N
XLogP2.86
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
5-methoxy-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647101
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107617734
4-N-(4-chloro-2-iodophenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 107639119
2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82816630
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
5-chloro-2-N-(2,6-difluoro-3-methylphenyl)pyridine-2,3-diamine
CID 82815662
6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115505231
N-(2,6-difluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430319
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198571
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
CID 82820361

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine (CID 82822681) is 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine is CNc1ncnc(Nc2c(F)ccc(C)c2F)c1OC.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is HTRQDVPLFDIGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-7-4-5-8(14)10(9(7)15)19-13-11(20-3)12(16-2)17-6-18-13/h4-6H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 280.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 82822681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).