4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine

C12H19ClN4O — CID 114109143

IUPAC4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2(CC)CCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-12(6-5-7-12)8-14-10-15-9(13)16-11(17-10)18-4-2/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyMXOFOAYCLIORRN-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.92
Rot. Bonds6

About 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 114109143) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
PubChem CID114109143
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2(CC)CCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-12(6-5-7-12)8-14-10-15-9(13)16-11(17-10)18-4-2/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyMXOFOAYCLIORRN-UHFFFAOYSA-N
XLogP2.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazin-2-amine
CID 63830004
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 114101580
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 107164920
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine (CID 114109143) is 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC2(CC)CCC2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is MXOFOAYCLIORRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-12(6-5-7-12)8-14-10-15-9(13)16-11(17-10)18-4-2/h3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 114109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).