4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide

C12H18N6O3 — CID 977017

IUPAC4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N6O3/c13-9(19)10-14-11(17-1-5-20-6-2-17)16-12(15-10)18-3-7-21-8-4-18/h1-8H2,(H2,13,19)
InChIKeyVBGASMYTXMIKIR-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.36
Rot. Bonds3

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

4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide (PubChem CID 977017) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide
PubChem CID977017
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18N6O3/c13-9(19)10-14-11(17-1-5-20-6-2-17)16-12(15-10)18-3-7-21-8-4-18/h1-8H2,(H2,13,19)
InChIKeyVBGASMYTXMIKIR-UHFFFAOYSA-N
XLogP-1.36
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(Tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide
CID 665366
4-(Dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide
CID 942832
1-Piperazinecarboxamide, 4-((4-amino-6-morpholino-s-triazin-2-yl)methyl)-N,N-diethyl-
CID 207512
4-Morpholin-4-yl-6-piperidyl-1,3,5-triazine-2-carboxamide
CID 729560
4-Methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 4303317
4-[(4-Ethylpiperazin-1-yl)methyl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 16490511
4-(Methylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 936517
O-acetyl-4,6-dimorpholino-1,3,5-triazine-2-carbohydroximamide
CID 6089673
2-Amino-4-carbamoyl-6-morpholino-1,3,5-triazine
CID 597577
2-Amino-4-morpholino-6-morpholinomethyl-1,3,5-triazine
CID 606989
2-Amino-4-hydrazinocarbonyl-6-morpholino-1,3,5-triazine
CID 617313
2-{[4,6-Bis(morpholin-4-YL)-1,3,5-triazin-2-YL](cyano)amino}acetamide
CID 714960

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide (CID 977017) is 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is VBGASMYTXMIKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-9(19)10-14-11(17-1-5-20-6-2-17)16-12(15-10)18-3-7-21-8-4-18/h1-8H2,(H2,13,19).
What are the key properties of 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide?
4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of -1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 977017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).