6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C18H17FN4 — CID 112871574

IUPAC6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4/c1-13-21-17(20-12-14-5-3-2-4-6-14)11-18(22-13)23-16-9-7-15(19)8-10-16/h2-11H,12H2,1H3,(H2,20,21,22,23)
InChIKeyQIYRKEYAJKLFGC-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.28
Rot. Bonds5

About 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine

6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112871574) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112871574
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccccc2)cc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4/c1-13-21-17(20-12-14-5-3-2-4-6-14)11-18(22-13)23-16-9-7-15(19)8-10-16/h2-11H,12H2,1H3,(H2,20,21,22,23)
InChIKeyQIYRKEYAJKLFGC-UHFFFAOYSA-N
XLogP4.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-benzyl-4-N-(4-fluorophenyl)-2-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

6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112872493
2-methyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112871962
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112871646
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193381
N-[3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871603
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112871574) is 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(NCc2ccccc2)cc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is QIYRKEYAJKLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-13-21-17(20-12-14-5-3-2-4-6-14)11-18(22-13)23-16-9-7-15(19)8-10-16/h2-11H,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).