4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

C20H23N5 — CID 22539520

IUPAC4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCN(Cc1ccccc1)c1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-25(14-17-10-6-3-7-11-17)20-18(21)19(23-15-24-20)22-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14,21H2,1H3,(H,22,23,24)
InChIKeyCCUBLWDSHDDWQT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.35
Rot. Bonds7

About 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine

4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 22539520) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID22539520
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCN(Cc1ccccc1)c1ncnc(NCCc2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-25(14-17-10-6-3-7-11-17)20-18(21)19(23-15-24-20)22-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14,21H2,1H3,(H,22,23,24)
InChIKeyCCUBLWDSHDDWQT-UHFFFAOYSA-N
XLogP3.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539473
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine (CID 22539520) is 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is CN(Cc1ccccc1)c1ncnc(NCCc2ccccc2)c1N.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is CCUBLWDSHDDWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-25(14-17-10-6-3-7-11-17)20-18(21)19(23-15-24-20)22-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14,21H2,1H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine?
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).