2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide

C13H20N8O2 — CID 27378787

IUPAC2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)Nc1nc(N(C#N)CC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N8O2/c1-9(2)16-11-17-12(20-3-5-23-6-4-20)19-13(18-11)21(8-14)7-10(15)22/h9H,3-7H2,1-2H3,(H2,15,22)(H,16,17,18,19)
InChIKeyNSDONPYXAOHIRQ-UHFFFAOYSA-N
MW320.36 g/mol
LogP-0.70
Rot. Bonds6

About 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide

2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 27378787) has the molecular formula C13H20N8O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID27378787
Molecular FormulaC13H20N8O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)Nc1nc(N(C#N)CC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N8O2/c1-9(2)16-11-17-12(20-3-5-23-6-4-20)19-13(18-11)21(8-14)7-10(15)22/h9H,3-7H2,1-2H3,(H2,15,22)(H,16,17,18,19)
InChIKeyNSDONPYXAOHIRQ-UHFFFAOYSA-N
XLogP-0.70
TPSA133.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide with MolForge

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Launch Full Analysis

Related Compounds

6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
1,3,5-Triazine, 2-ethylamino-4-isopropylamino-6-(4-morpholyl)-
CID 622318
4,6-dimethoxy-N-[2-(4-morpholinyl)ethyl]-1,3,5-triazin-2-amine
CID 670835
N-[4-chloro-6-(isopropylamino)-1,3,5-triazin-2-yl]-N-[2-(4-morpholinyl)ethyl]amine
CID 810969
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 117081620
4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 117093810
2-{[4,6-Bis(morpholin-4-YL)-1,3,5-triazin-2-YL](cyano)amino}acetamide
CID 714960
4-(Ethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 755876
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 58361488
2-[[4-[2-(2-Aminoethoxy)ethoxy]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 68371114
6-methoxy-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777869
2-N-(1-aminoethyl)-4-N-(2-aminoethyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 117617589

Frequently Asked Questions

What is the IUPAC name of 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide (CID 27378787) is 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide is CC(C)Nc1nc(N(C#N)CC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is NSDONPYXAOHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N8O2/c1-9(2)16-11-17-12(20-3-5-23-6-4-20)19-13(18-11)21(8-14)7-10(15)22/h9H,3-7H2,1-2H3,(H2,15,22)(H,16,17,18,19).
What are the key properties of 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide?
2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 320.36 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 27378787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).