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

C19H27N7O — CID 655606

IUPAC4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H27N7O/c1-14-3-4-17-16(11-14)15(2)22-19(23-17)24-18-20-12-26(13-21-18)6-5-25-7-9-27-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyIVDATQNKKPBBBA-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.17
Rot. Bonds4

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

4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (PubChem CID 655606) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
PubChem CID655606
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
SMILESCc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1
InChIInChI=1S/C19H27N7O/c1-14-3-4-17-16(11-14)15(2)22-19(23-17)24-18-20-12-26(13-21-18)6-5-25-7-9-27-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyIVDATQNKKPBBBA-UHFFFAOYSA-N
XLogP1.17
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-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-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine (CID 655606) is 4,6-dimethyl-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-dimethyl-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-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is Cc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1.
What is the InChIKey of 4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
The InChIKey is IVDATQNKKPBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-14-3-4-17-16(11-14)15(2)22-19(23-17)24-18-20-12-26(13-21-18)6-5-25-7-9-27-10-8-25/h3-4,11H,5-10,12-13H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine?
4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine is sourced from PubChem (CID 655606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).