4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

C8H12N6O2 — CID 597577

IUPAC4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H12N6O2/c9-5(15)6-11-7(10)13-8(12-6)14-1-3-16-4-2-14/h1-4H2,(H2,9,15)(H2,10,11,12,13)
InChIKeyXTIDXZBMZMLTCA-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.61
Rot. Bonds2

About 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (PubChem CID 597577) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
PubChem CID597577
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C8H12N6O2/c9-5(15)6-11-7(10)13-8(12-6)14-1-3-16-4-2-14/h1-4H2,(H2,9,15)(H2,10,11,12,13)
InChIKeyXTIDXZBMZMLTCA-UHFFFAOYSA-N
XLogP-1.61
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (CID 597577) is 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is XTIDXZBMZMLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c9-5(15)6-11-7(10)13-8(12-6)14-1-3-16-4-2-14/h1-4H2,(H2,9,15)(H2,10,11,12,13).
What are the key properties of 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 597577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).