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

C21H21N7 — CID 1266461

IUPAC6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C21H21N7/c1-16(2)23-19-24-20(27-14-13-22-15-27)26-21(25-19)28(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24,25,26)
InChIKeyBSEODYOFZXTHSQ-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.35
Rot. Bonds6

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

6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1266461) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID1266461
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C21H21N7/c1-16(2)23-19-24-20(27-14-13-22-15-27)26-21(25-19)28(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24,25,26)
InChIKeyBSEODYOFZXTHSQ-UHFFFAOYSA-N
XLogP4.35
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 1266461) is 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BSEODYOFZXTHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-16(2)23-19-24-20(27-14-13-22-15-27)26-21(25-19)28(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,23,24,25,26).
What are the key properties of 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 371.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N,4-N-diphenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1266461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).