2-N,4-N-dibenzylpyrimidine-2,4-diamine

C18H18N4 — CID 13162554

IUPAC2-N,4-N-dibenzylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(22-17)21-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22)
InChIKeyGIXBETGRINTHDT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds6

About 2-N,4-N-dibenzylpyrimidine-2,4-diamine

2-N,4-N-dibenzylpyrimidine-2,4-diamine (PubChem CID 13162554) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N,4-N-dibenzylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzylpyrimidine-2,4-diamine
PubChem CID13162554
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-N,4-N-dibenzylpyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(22-17)21-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22)
InChIKeyGIXBETGRINTHDT-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.70
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-dibenzylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzylpyrimidine-2,4-diamine (CID 13162554) is 2-N,4-N-dibenzylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzylpyrimidine-2,4-diamine is c1ccc(CNc2ccnc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N-dibenzylpyrimidine-2,4-diamine?
The InChIKey is GIXBETGRINTHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-7-15(8-4-1)13-20-17-11-12-19-18(22-17)21-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22).
What are the key properties of 2-N,4-N-dibenzylpyrimidine-2,4-diamine?
2-N,4-N-dibenzylpyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzylpyrimidine-2,4-diamine is sourced from PubChem (CID 13162554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).