4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

C22H26N6 — CID 1397245

IUPAC4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2cc1C
InChIInChI=1S/C22H26N6/c1-15-11-19-17(3)25-22(26-20(19)12-16(15)2)27-21-23-13-28(14-24-21)10-9-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyUORHCVSHCSBQSR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.39
Rot. Bonds4

About 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine

4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 1397245) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID1397245
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2cc1C
InChIInChI=1S/C22H26N6/c1-15-11-19-17(3)25-22(26-20(19)12-16(15)2)27-21-23-13-28(14-24-21)10-9-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyUORHCVSHCSBQSR-UHFFFAOYSA-N
XLogP3.39
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 1397245) is 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is Cc1cc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is UORHCVSHCSBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-15-11-19-17(3)25-22(26-20(19)12-16(15)2)27-21-23-13-28(14-24-21)10-9-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is sourced from PubChem (CID 1397245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).