(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide

C12H19N5O4 — CID 124975153

IUPAC(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(c2nc(OC)nc(OC)n2)CCO1
InChIInChI=1S/C12H19N5O4/c1-12(8(18)13-2)7-17(5-6-21-12)9-14-10(19-3)16-11(15-9)20-4/h5-7H2,1-4H3,(H,13,18)/t12-/m1/s1
InChIKeyKVVOJVJVXVBYKD-GFCCVEGCSA-N
MW297.31 g/mol
LogP-0.77
Rot. Bonds4

About (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide

(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 124975153) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide
PubChem CID124975153
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(c2nc(OC)nc(OC)n2)CCO1
InChIInChI=1S/C12H19N5O4/c1-12(8(18)13-2)7-17(5-6-21-12)9-14-10(19-3)16-11(15-9)20-4/h5-7H2,1-4H3,(H,13,18)/t12-/m1/s1
InChIKeyKVVOJVJVXVBYKD-GFCCVEGCSA-N
XLogP-0.77
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide (CID 124975153) is (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(c2nc(OC)nc(OC)n2)CCO1.
What is the InChIKey of (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is KVVOJVJVXVBYKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-12(8(18)13-2)7-17(5-6-21-12)9-14-10(19-3)16-11(15-9)20-4/h5-7H2,1-4H3,(H,13,18)/t12-/m1/s1.
What are the key properties of (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide?
(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124975153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).