1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine

C12H21ClN4O2 — CID 79679199

IUPAC1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
SMILESCC(C)Oc1nc(Cl)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H21ClN4O2/c1-8(2)19-11-15-9(13)14-10(16-11)18-7-12(3,4)17(5)6/h8H,7H2,1-6H3
InChIKeyBFJCLCXOWVSTHW-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.03
Rot. Bonds6

About 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine

1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79679199) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79679199
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
SMILESCC(C)Oc1nc(Cl)nc(OCC(C)(C)N(C)C)n1
InChIInChI=1S/C12H21ClN4O2/c1-8(2)19-11-15-9(13)14-10(16-11)18-7-12(3,4)17(5)6/h8H,7H2,1-6H3
InChIKeyBFJCLCXOWVSTHW-UHFFFAOYSA-N
XLogP2.03
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine with MolForge

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Related Compounds

2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine
CID 154200189
2,4-dichloro-6-(2,2-dimethylpropoxy)-1,3,5-triazine
CID 58543777
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124098
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106794790
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878227
2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 114101580
4-chloro-N-methyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62865087

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine (CID 79679199) is 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine is CC(C)Oc1nc(Cl)nc(OCC(C)(C)N(C)C)n1.
What is the InChIKey of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is BFJCLCXOWVSTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-8(2)19-11-15-9(13)14-10(16-11)18-7-12(3,4)17(5)6/h8H,7H2,1-6H3.
What are the key properties of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine?
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79679199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).