4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine

C25H32N6O — CID 19136362

IUPAC4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N6O/c26-23-24(27-12-7-13-30-14-16-32-17-15-30)28-20-29-25(23)31(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,20H,7,12-19,26H2,(H,27,28,29)
InChIKeyBAAJVLFXCUKVMK-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.40
Rot. Bonds10

About 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine

4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19136362) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19136362
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N6O/c26-23-24(27-12-7-13-30-14-16-32-17-15-30)28-20-29-25(23)31(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,20H,7,12-19,26H2,(H,27,28,29)
InChIKeyBAAJVLFXCUKVMK-UHFFFAOYSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine (CID 19136362) is 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine is Nc1c(NCCCN2CCOCC2)ncnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is BAAJVLFXCUKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c26-23-24(27-12-7-13-30-14-16-32-17-15-30)28-20-29-25(23)31(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,20H,7,12-19,26H2,(H,27,28,29).
What are the key properties of 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 432.57 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).