N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine

C21H24N6 — CID 17228652

IUPACN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
SMILESCc1cc(C)c2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1
InChIInChI=1S/C21H24N6/c1-14-9-15(2)19-18(10-14)16(3)24-21(25-19)26-20-22-12-27(13-23-20)11-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyPANUREWVOOXMSI-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.34
Rot. Bonds3

About N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine

N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine (PubChem CID 17228652) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
PubChem CID17228652
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine
SMILESCc1cc(C)c2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1
InChIInChI=1S/C21H24N6/c1-14-9-15(2)19-18(10-14)16(3)24-21(25-19)26-20-22-12-27(13-23-20)11-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyPANUREWVOOXMSI-UHFFFAOYSA-N
XLogP3.34
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine?
The IUPAC name of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine (CID 17228652) is N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine.
What is the SMILES notation for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine?
The canonical SMILES for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine is Cc1cc(C)c2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1.
What is the InChIKey of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine?
The InChIKey is PANUREWVOOXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14-9-15(2)19-18(10-14)16(3)24-21(25-19)26-20-22-12-27(13-23-20)11-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine?
N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine has a molecular weight of 360.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4,6,8-trimethylquinazolin-2-amine is sourced from PubChem (CID 17228652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).