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

C20H29N7O — CID 664190

IUPAC4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C
InChIInChI=1S/C20H29N7O/c1-14-10-17-16(3)23-20(24-18(17)11-15(14)2)25-19-21-12-27(13-22-19)5-4-26-6-8-28-9-7-26/h10-11H,4-9,12-13H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyPOHLKNHAGYFGMU-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.48
Rot. Bonds4

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

4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 664190) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID664190
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C
InChIInChI=1S/C20H29N7O/c1-14-10-17-16(3)23-20(24-18(17)11-15(14)2)25-19-21-12-27(13-22-19)5-4-26-6-8-28-9-7-26/h10-11H,4-9,12-13H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyPOHLKNHAGYFGMU-UHFFFAOYSA-N
XLogP1.48
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 664190) is 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-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-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is Cc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is POHLKNHAGYFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14-10-17-16(3)23-20(24-18(17)11-15(14)2)25-19-21-12-27(13-22-19)5-4-26-6-8-28-9-7-26/h10-11H,4-9,12-13H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine has a molecular weight of 383.50 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is sourced from PubChem (CID 664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).