4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine

C26H27N5 — CID 19136416

IUPAC4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C26H27N5/c1-20-12-14-21(15-13-20)16-28-25-24(27)26(30-19-29-25)31(17-22-8-4-2-5-9-22)18-23-10-6-3-7-11-23/h2-15,19H,16-18,27H2,1H3,(H,28,29,30)
InChIKeyTVXASNRHKKYEEG-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.19
Rot. Bonds8

About 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine

4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine (PubChem CID 19136416) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
PubChem CID19136416
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1
InChIInChI=1S/C26H27N5/c1-20-12-14-21(15-13-20)16-28-25-24(27)26(30-19-29-25)31(17-22-8-4-2-5-9-22)18-23-10-6-3-7-11-23/h2-15,19H,16-18,27H2,1H3,(H,28,29,30)
InChIKeyTVXASNRHKKYEEG-UHFFFAOYSA-N
XLogP5.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
3-[[5-amino-6-(benzylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19136157
4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545111
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146976
N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 130162876
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
4-N,4-N-dibenzyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547775

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine (CID 19136416) is 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine is Cc1ccc(CNc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine?
The InChIKey is TVXASNRHKKYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-20-12-14-21(15-13-20)16-28-25-24(27)26(30-19-29-25)31(17-22-8-4-2-5-9-22)18-23-10-6-3-7-11-23/h2-15,19H,16-18,27H2,1H3,(H,28,29,30).
What are the key properties of 4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine?
4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine has a molecular weight of 409.54 g/mol, XLogP of 5.19, 8 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-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).