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

C9H13ClN6O2 — CID 55124249

IUPAC2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESNC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN6O2/c10-7-13-8(12-5-6(11)17)15-9(14-7)16-1-3-18-4-2-16/h1-5H2,(H2,11,17)(H,12,13,14,15)
InChIKeyDXRGZRCEKKVALC-UHFFFAOYSA-N
MW272.70 g/mol
LogP-0.74
Rot. Bonds4

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

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide (PubChem CID 55124249) has the molecular formula C9H13ClN6O2 and a molecular weight of 272.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
PubChem CID55124249
Molecular FormulaC9H13ClN6O2
Molecular Weight272.70 g/mol
Exact Mass272.08
IUPAC Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESNC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN6O2/c10-7-13-8(12-5-6(11)17)15-9(14-7)16-1-3-18-4-2-16/h1-5H2,(H2,11,17)(H,12,13,14,15)
InChIKeyDXRGZRCEKKVALC-UHFFFAOYSA-N
XLogP-0.74
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide (CID 55124249) is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide is NC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The InChIKey is DXRGZRCEKKVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN6O2/c10-7-13-8(12-5-6(11)17)15-9(14-7)16-1-3-18-4-2-16/h1-5H2,(H2,11,17)(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide has a molecular weight of 272.70 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide is sourced from PubChem (CID 55124249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).