4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

C10H14N5O3- — CID 3282205

IUPAC4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCN(C)c1nc(C(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17)/p-1
InChIKeyBGJCOWNPLPHIOI-UHFFFAOYSA-M
MW252.25 g/mol
LogP-1.86
Rot. Bonds3

About 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate

4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (PubChem CID 3282205) has the molecular formula C10H14N5O3- and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
PubChem CID3282205
Molecular FormulaC10H14N5O3-
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate
SMILESCN(C)c1nc(C(=O)[O-])nc(N2CCOCC2)n1
InChIInChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17)/p-1
InChIKeyBGJCOWNPLPHIOI-UHFFFAOYSA-M
XLogP-1.86
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The IUPAC name of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate (CID 3282205) is 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is CN(C)c1nc(C(=O)[O-])nc(N2CCOCC2)n1.
What is the InChIKey of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
The InChIKey is BGJCOWNPLPHIOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15N5O3/c1-14(2)9-11-7(8(16)17)12-10(13-9)15-3-5-18-6-4-15/h3-6H2,1-2H3,(H,16,17)/p-1.
What are the key properties of 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate?
4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate has a molecular weight of 252.25 g/mol, XLogP of -1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 3282205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).