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

C12H20ClN5O2 — CID 62863611

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20ClN5O2/c1-5-6-20-12-16-10(13)15-11(17-12)18(4)7-9(19)14-8(2)3/h8H,5-7H2,1-4H3,(H,14,19)
InChIKeyUDKFXPLXMMUTIU-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.27
Rot. Bonds7

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

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 62863611) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID62863611
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1
InChIInChI=1S/C12H20ClN5O2/c1-5-6-20-12-16-10(13)15-11(17-12)18(4)7-9(19)14-8(2)3/h8H,5-7H2,1-4H3,(H,14,19)
InChIKeyUDKFXPLXMMUTIU-UHFFFAOYSA-N
XLogP1.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 80821234
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 62863952
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 63838044
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 80901609

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 62863611) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is CCCOc1nc(Cl)nc(N(C)CC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is UDKFXPLXMMUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c1-5-6-20-12-16-10(13)15-11(17-12)18(4)7-9(19)14-8(2)3/h8H,5-7H2,1-4H3,(H,14,19).
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 301.78 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).