6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

C26H35N5 — CID 19136343

IUPAC6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N
InChIInChI=1S/C26H35N5/c1-20(2)15-30(16-21(3)4)25-24(27)26(29-19-28-25)31(17-22-11-7-5-8-12-22)18-23-13-9-6-10-14-23/h5-14,19-21H,15-18,27H2,1-4H3
InChIKeyYTEBUISUZMJXFU-UHFFFAOYSA-N
MW417.60 g/mol
LogP5.38
Rot. Bonds10

About 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19136343) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19136343
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Name6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N
InChIInChI=1S/C26H35N5/c1-20(2)15-30(16-21(3)4)25-24(27)26(29-19-28-25)31(17-22-11-7-5-8-12-22)18-23-13-9-6-10-14-23/h5-14,19-21H,15-18,27H2,1-4H3
InChIKeyYTEBUISUZMJXFU-UHFFFAOYSA-N
XLogP5.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine (CID 19136343) is 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1N.
What is the InChIKey of 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is YTEBUISUZMJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-20(2)15-30(16-21(3)4)25-24(27)26(29-19-28-25)31(17-22-11-7-5-8-12-22)18-23-13-9-6-10-14-23/h5-14,19-21H,15-18,27H2,1-4H3.
What are the key properties of 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine?
6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 417.60 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).