4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C14H23N5O2 — CID 80790608

IUPAC4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C14H23N5O2/c1-3-20-14-17-12(15-2)16-13(18-14)19-8-9-21-11-7-5-4-6-10(11)19/h10-11H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyYJWVRDSRHNVXFB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.46
Rot. Bonds4

About 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80790608) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80790608
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C14H23N5O2/c1-3-20-14-17-12(15-2)16-13(18-14)19-8-9-21-11-7-5-4-6-10(11)19/h10-11H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyYJWVRDSRHNVXFB-UHFFFAOYSA-N
XLogP1.46
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80900110
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
(4aR,8aS)-4-(6-ethoxypyrazin-2-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 129446161
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 102729128
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine
CID 103361760

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 80790608) is 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(N2CCOC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is YJWVRDSRHNVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-20-14-17-12(15-2)16-13(18-14)19-8-9-21-11-7-5-4-6-10(11)19/h10-11H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80790608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).