4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C18H19N5 — CID 71622454

IUPAC4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5/c1-13(2)19-17-21-16(14-9-5-3-6-10-14)22-18(23-17)20-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22,23)
InChIKeyWVHMNCOFPWFUMF-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.10
Rot. Bonds5

About 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 71622454) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID71622454
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5/c1-13(2)19-17-21-16(14-9-5-3-6-10-14)22-18(23-17)20-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22,23)
InChIKeyWVHMNCOFPWFUMF-UHFFFAOYSA-N
XLogP4.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 71622454) is 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is WVHMNCOFPWFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-13(2)19-17-21-16(14-9-5-3-6-10-14)22-18(23-17)20-15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).