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

C10H16ClN5O2 — CID 55124600

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C10H16ClN5O2/c1-6(2)12-7(17)5-16(3)9-13-8(11)14-10(15-9)18-4/h6H,5H2,1-4H3,(H,12,17)
InChIKeyNDTPIIDPWWXMMB-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.49
Rot. Bonds5

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 55124600) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID55124600
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C10H16ClN5O2/c1-6(2)12-7(17)5-16(3)9-13-8(11)14-10(15-9)18-4/h6H,5H2,1-4H3,(H,12,17)
InChIKeyNDTPIIDPWWXMMB-UHFFFAOYSA-N
XLogP0.49
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.49
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-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 55124600) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is COc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is NDTPIIDPWWXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-6(2)12-7(17)5-16(3)9-13-8(11)14-10(15-9)18-4/h6H,5H2,1-4H3,(H,12,17).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 273.72 g/mol, XLogP of 0.49, 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-propan-2-ylacetamide is sourced from PubChem (CID 55124600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).