2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine

C23H28N4 — CID 25128804

IUPAC2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)
InChIKeyHEIDJEFGBUXABK-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.29
Rot. Bonds9

About 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine

2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 25128804) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID25128804
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27)
InChIKeyHEIDJEFGBUXABK-UHFFFAOYSA-N
XLogP5.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine (CID 25128804) is 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is HEIDJEFGBUXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-18(2)13-14-21-15-22(24-16-19-9-5-3-6-10-19)27-23(26-21)25-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 360.50 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-6-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25128804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).