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

C10H14ClN5O2 — CID 55124644

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCOc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C10H14ClN5O2/c1-16(5-7(17)12-6-3-4-6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17)
InChIKeyHIHNZHCYDBUJEW-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.25
Rot. Bonds5

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 55124644) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID55124644
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCOc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1
InChIInChI=1S/C10H14ClN5O2/c1-16(5-7(17)12-6-3-4-6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17)
InChIKeyHIHNZHCYDBUJEW-UHFFFAOYSA-N
XLogP0.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.25
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-cyclopropylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide (CID 55124644) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide is COc1nc(Cl)nc(N(C)CC(=O)NC2CC2)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is HIHNZHCYDBUJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-16(5-7(17)12-6-3-4-6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 271.71 g/mol, XLogP of 0.25, 5 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-cyclopropylacetamide is sourced from PubChem (CID 55124644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).