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

C12H22N6O2 — CID 80821234

IUPAC2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-7(2)14-9(19)6-18(5)11-15-10(13)16-12(17-11)20-8(3)4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17)
InChIKeyMMQIRBLGELSAOE-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.20
Rot. Bonds6

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

2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 80821234) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID80821234
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-7(2)14-9(19)6-18(5)11-15-10(13)16-12(17-11)20-8(3)4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17)
InChIKeyMMQIRBLGELSAOE-UHFFFAOYSA-N
XLogP0.20
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918727
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 80901609
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
2-N-[(2-bromophenyl)methyl]-2-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80778094
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80772422
2-N-methyl-6-propan-2-yloxy-2-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80773890
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide (CID 80821234) is 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MMQIRBLGELSAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-7(2)14-9(19)6-18(5)11-15-10(13)16-12(17-11)20-8(3)4/h7-8H,6H2,1-5H3,(H,14,19)(H2,13,15,16,17).
What are the key properties of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 282.35 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).