6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 80782695

IUPAC6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CC(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-9(3)8-17(5)11-14-10(13-4)15-12(16-11)18-7-2/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyQRZZRZCDFYQBKK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.79
Rot. Bonds7

About 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80782695) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID80782695
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CC(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-9(3)8-17(5)11-14-10(13-4)15-12(16-11)18-7-2/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyQRZZRZCDFYQBKK-UHFFFAOYSA-N
XLogP1.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849779
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783139
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80749975
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 80782695) is 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(N(C)CC(C)CC)n1.
What is the InChIKey of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QRZZRZCDFYQBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-9(3)8-17(5)11-14-10(13-4)15-12(16-11)18-7-2/h9H,6-8H2,1-5H3,(H,13,14,15,16).
What are the key properties of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).