2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide

C10H16ClN5O2 — CID 62858007

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H16ClN5O2/c1-4-12-7(17)6-16(5-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17)
InChIKeyZVZVDKCQRXMTIA-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.50
Rot. Bonds6

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide (PubChem CID 62858007) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
PubChem CID62858007
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H16ClN5O2/c1-4-12-7(17)6-16(5-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17)
InChIKeyZVZVDKCQRXMTIA-UHFFFAOYSA-N
XLogP0.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79072774
2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyrimidine-5-carboxylic acid
CID 113387735
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide (CID 62858007) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is ZVZVDKCQRXMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-4-12-7(17)6-16(5-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 273.72 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62858007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).