4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine

C12H13FN4 — CID 80762283

IUPAC4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAUINNVLNUHHONC-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds3

About 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80762283) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80762283
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyAUINNVLNUHHONC-UHFFFAOYSA-N
XLogP2.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-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

2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927503
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762561
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107580704
2-tert-butyl-4-N-(5-fluoro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80955594
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80762283) is 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is AUINNVLNUHHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-3-4-9(13)7-10(8)16-11-5-6-15-12(14-2)17-11/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).