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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Related Compounds

CID 2909387
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CID 4518737
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CID 658241
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CID 168282824
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CID 71597141
CID 71597141
CID 80802981
CID 80802981
CID 135042322
CID 135042322
CID 176431628
CID 176431628
CID 176431629
CID 176431629
CID 910743
CID 910743
CID 19909970
CID 19909970
CID 139640125
CID 139640125

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).