2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 107403037

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(N)nc(OC)n1
InChIInChI=1S/C11H19N5O/c1-3-16(7-8-5-4-6-8)10-13-9(12)14-11(15-10)17-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFXKJOXHGRKWAMA-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.09
Rot. Bonds5

About 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 107403037) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID107403037
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC1CCC1)c1nc(N)nc(OC)n1
InChIInChI=1S/C11H19N5O/c1-3-16(7-8-5-4-6-8)10-13-9(12)14-11(15-10)17-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFXKJOXHGRKWAMA-UHFFFAOYSA-N
XLogP1.09
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102998962
2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
2-N,2-N-diethyl-6-(oxan-4-yloxy)-1,3,5-triazine-2,4-diamine
CID 80872901
2-N-(4-ethylcyclohexyl)-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809819
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-N-(cyclobutylmethyl)-6-ethoxy-2-N-ethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107403046

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 107403037) is 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCN(CC1CCC1)c1nc(N)nc(OC)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FXKJOXHGRKWAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16(7-8-5-4-6-8)10-13-9(12)14-11(15-10)17-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107403037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).