6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine

C17H14F2N4 — CID 112858876

IUPAC6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCc3ccccc3)ncn2)cc1F
InChIInChI=1S/C17H14F2N4/c18-14-7-6-13(8-15(14)19)23-17-9-16(21-11-22-17)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyPMZQXNMHBGDIKG-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.11
Rot. Bonds5

About 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine

6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112858876) has the molecular formula C17H14F2N4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
PubChem CID112858876
Molecular FormulaC17H14F2N4
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCc3ccccc3)ncn2)cc1F
InChIInChI=1S/C17H14F2N4/c18-14-7-6-13(8-15(14)19)23-17-9-16(21-11-22-17)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22,23)
InChIKeyPMZQXNMHBGDIKG-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-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

N-benzyl-3,4-difluoroaniline
CID 21321396
4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859776
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-[[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192877
4-N-(3-chloro-4-fluorophenyl)-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858961
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine (CID 112858876) is 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NCc3ccccc3)ncn2)cc1F.
What is the InChIKey of 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is PMZQXNMHBGDIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4/c18-14-7-6-13(8-15(14)19)23-17-9-16(21-11-22-17)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22,23).
What are the key properties of 6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(3,4-difluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 312.32 g/mol, XLogP of 4.11, 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-(3,4-difluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).