4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

C19H17F3N4 — CID 112917039

IUPAC4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C19H17F3N4/c1-12-10-16(26(2)11-13-6-4-3-5-7-13)25-19(23-12)24-15-9-8-14(20)17(21)18(15)22/h3-10H,11H2,1-2H3,(H,23,24,25)
InChIKeySZDAQBVCNOZHFV-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.58
Rot. Bonds5

About 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112917039) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID112917039
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C19H17F3N4/c1-12-10-16(26(2)11-13-6-4-3-5-7-13)25-19(23-12)24-15-9-8-14(20)17(21)18(15)22/h3-10H,11H2,1-2H3,(H,23,24,25)
InChIKeySZDAQBVCNOZHFV-UHFFFAOYSA-N
XLogP4.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109328414
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
methyl 2-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112917001
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
4-N-benzyl-2-N-(2-ethyl-6-methylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916963
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949296
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (CID 112917039) is 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is SZDAQBVCNOZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-12-10-16(26(2)11-13-6-4-3-5-7-13)25-19(23-12)24-15-9-8-14(20)17(21)18(15)22/h3-10H,11H2,1-2H3,(H,23,24,25).
What are the key properties of 4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 4.58, 5 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,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112917039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).