6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine

C22H26N6O — CID 3754318

IUPAC6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine
SMILESCCc1ccc2nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc(C)c2c1
InChIInChI=1S/C22H26N6O/c1-4-16-7-10-20-19(11-16)15(2)25-22(26-20)27-21-23-13-28(14-24-21)12-17-5-8-18(29-3)9-6-17/h5-11H,4,12-14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyIISNSLCFFPDHPM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.30
Rot. Bonds5

About 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine

6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine (PubChem CID 3754318) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine
PubChem CID3754318
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine
SMILESCCc1ccc2nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc(C)c2c1
InChIInChI=1S/C22H26N6O/c1-4-16-7-10-20-19(11-16)15(2)25-22(26-20)27-21-23-13-28(14-24-21)12-17-5-8-18(29-3)9-6-17/h5-11H,4,12-14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyIISNSLCFFPDHPM-UHFFFAOYSA-N
XLogP3.30
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine?
The IUPAC name of 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine (CID 3754318) is 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine.
What is the SMILES notation for 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine?
The canonical SMILES for 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine is CCc1ccc2nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc(C)c2c1.
What is the InChIKey of 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine?
The InChIKey is IISNSLCFFPDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-4-16-7-10-20-19(11-16)15(2)25-22(26-20)27-21-23-13-28(14-24-21)12-17-5-8-18(29-3)9-6-17/h5-11H,4,12-14H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine?
6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylquinazolin-2-amine is sourced from PubChem (CID 3754318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).