4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H23N5O2 — CID 82745449

IUPAC4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C13H23N5O2/c1-4-7-20-13-16-11(14-5-2)15-12(17-13)18(3)10-6-8-19-9-10/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyMWFJJLBXQWTVSU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.32
Rot. Bonds7

About 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 82745449) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID82745449
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C13H23N5O2/c1-4-7-20-13-16-11(14-5-2)15-12(17-13)18(3)10-6-8-19-9-10/h10H,4-9H2,1-3H3,(H,14,15,16,17)
InChIKeyMWFJJLBXQWTVSU-UHFFFAOYSA-N
XLogP1.32
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
2-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82751417
4-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80900563
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80810981
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80826231
4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 172899427
4-N-ethyl-2-N-(furan-3-ylmethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780556
2-N-ethyl-4-N,6-dimethyl-4-N-(oxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329424
4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860229

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 82745449) is 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(N(C)C2CCOC2)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MWFJJLBXQWTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-7-20-13-16-11(14-5-2)15-12(17-13)18(3)10-6-8-19-9-10/h10H,4-9H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82745449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).