6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine

C15H19N5O — CID 80797018

IUPAC6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N5O/c1-2-21-15-19-13(16)18-14(20-15)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H3,16,17,18,19,20)
InChIKeyDTGXUXGLVDVOFP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds4

About 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80797018) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80797018
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H19N5O/c1-2-21-15-19-13(16)18-14(20-15)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H3,16,17,18,19,20)
InChIKeyDTGXUXGLVDVOFP-UHFFFAOYSA-N
XLogP2.34
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
2-N-(2,3-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80777218
4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
2-hydrazinyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80907834
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46570687
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine (CID 80797018) is 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DTGXUXGLVDVOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-21-15-19-13(16)18-14(20-15)17-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,2,5,7,9H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80797018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).