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

C10H16ClN5O2 — CID 62857010

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

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide (PubChem CID 62857010) 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)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
PubChem CID62857010
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H16ClN5O2/c1-4-5-12-7(17)6-16(2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17)
InChIKeyLYPHJNKQGPDXNL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide (CID 62857010) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide?
The InChIKey is LYPHJNKQGPDXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-4-5-12-7(17)6-16(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)-methylamino]-N-propylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide 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)-methylamino]-N-propylacetamide is sourced from PubChem (CID 62857010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).