4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine

C19H19FN4 — CID 112892945

IUPAC4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C19H19FN4/c1-2-24(14-15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-17-11-7-6-10-16(17)20/h3-13H,2,14H2,1H3,(H,21,22,23)
InChIKeyAYDGVBUWESPNJN-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.39
Rot. Bonds6

About 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112892945) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID112892945
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccccc1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C19H19FN4/c1-2-24(14-15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-17-11-7-6-10-16(17)20/h3-13H,2,14H2,1H3,(H,21,22,23)
InChIKeyAYDGVBUWESPNJN-UHFFFAOYSA-N
XLogP4.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-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

4-N-benzyl-2-N-(2,3-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112893004
4-N-benzyl-2-N-(2-fluorophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112903480
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899159
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331
4-N-benzyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892993
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892955
2-N-(2,3-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899171
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine (CID 112892945) is 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine is CCN(Cc1ccccc1)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is AYDGVBUWESPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-2-24(14-15-8-4-3-5-9-15)18-12-13-21-19(23-18)22-17-11-7-6-10-16(17)20/h3-13H,2,14H2,1H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 322.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).