6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

C11H21N5O — CID 80792073

IUPAC6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)C(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-8(6-2)16(4)10-13-9(12)14-11(15-10)17-7-3/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyOELXWLZELNIUEY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.48
Rot. Bonds6

About 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80792073) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID80792073
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)C(CC)CC)n1
InChIInChI=1S/C11H21N5O/c1-5-8(6-2)16(4)10-13-9(12)14-11(15-10)17-7-3/h8H,5-7H2,1-4H3,(H2,12,13,14,15)
InChIKeyOELXWLZELNIUEY-UHFFFAOYSA-N
XLogP1.48
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80810648
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 80811099
6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (CID 80792073) is 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)C(CC)CC)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OELXWLZELNIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-8(6-2)16(4)10-13-9(12)14-11(15-10)17-7-3/h8H,5-7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80792073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).