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

C7H11ClN6O — CID 103104377

IUPAC2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN6O/c1-2-14(3-4(9)15)7-12-5(8)11-6(10)13-7/h2-3H2,1H3,(H2,9,15)(H2,10,11,12,13)
InChIKeyOFLRSJMERFHOKJ-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.58
Rot. Bonds4

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

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide (PubChem CID 103104377) has the molecular formula C7H11ClN6O and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
PubChem CID103104377
Molecular FormulaC7H11ClN6O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN6O/c1-2-14(3-4(9)15)7-12-5(8)11-6(10)13-7/h2-3H2,1H3,(H2,9,15)(H2,10,11,12,13)
InChIKeyOFLRSJMERFHOKJ-UHFFFAOYSA-N
XLogP-0.58
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708
6-chloro-2-N-ethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774645
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910
[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
CID 18793710
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
6-chloro-2-N-ethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849489
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide (CID 103104377) is 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc(N)nc(Cl)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The InChIKey is OFLRSJMERFHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6O/c1-2-14(3-4(9)15)7-12-5(8)11-6(10)13-7/h2-3H2,1H3,(H2,9,15)(H2,10,11,12,13).
What are the key properties of 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide?
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide has a molecular weight of 230.66 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide is sourced from PubChem (CID 103104377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).