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

C18H20N6 — CID 629324

IUPAC4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-13(2)19-16-22-17(20-14-9-5-3-6-10-14)24-18(23-16)21-15-11-7-4-8-12-15/h3-13H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyXDHYXZYJYANQCH-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.18
Rot. Bonds6

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

4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 629324) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID629324
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H20N6/c1-13(2)19-16-22-17(20-14-9-5-3-6-10-14)24-18(23-16)21-15-11-7-4-8-12-15/h3-13H,1-2H3,(H3,19,20,21,22,23,24)
InChIKeyXDHYXZYJYANQCH-UHFFFAOYSA-N
XLogP4.18
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 629324) is 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XDHYXZYJYANQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13(2)19-16-22-17(20-14-9-5-3-6-10-14)24-18(23-16)21-15-11-7-4-8-12-15/h3-13H,1-2H3,(H3,19,20,21,22,23,24).
What are the key properties of 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).