4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine

C20H23N5 — CID 19135166

IUPAC4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-2-22-19-18(21)20(24-15-23-19)25(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14,21H2,1H3,(H,22,23,24)
InChIKeyMVVLSCPZJKNEFN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.70
Rot. Bonds7

About 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine

4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine (PubChem CID 19135166) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
PubChem CID19135166
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N
InChIInChI=1S/C20H23N5/c1-2-22-19-18(21)20(24-15-23-19)25(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14,21H2,1H3,(H,22,23,24)
InChIKeyMVVLSCPZJKNEFN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
CID 3543
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-benzylpyrimidin-5-amine
CID 819920
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
N-(3,5-dimethylphenyl)-4-(2-phenyl-1H-imidazol-1-yl)pyrimidin-2-amine
CID 5329417
Mdl-106327DA
CID 9958681

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine (CID 19135166) is 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine is CCNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N.
What is the InChIKey of 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine?
The InChIKey is MVVLSCPZJKNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-22-19-18(21)20(24-15-23-19)25(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,2,13-14,21H2,1H3,(H,22,23,24).
What are the key properties of 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine?
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).