3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol

C8H15N5O2 — CID 80772035

IUPAC3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(N)nc(NCCCO)n1
InChIInChI=1S/C8H15N5O2/c1-2-15-8-12-6(9)11-7(13-8)10-4-3-5-14/h14H,2-5H2,1H3,(H3,9,10,11,12,13)
InChIKeyZCKDJMISXOEMFC-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.35
Rot. Bonds6

About 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol

3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 80772035) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID80772035
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(N)nc(NCCCO)n1
InChIInChI=1S/C8H15N5O2/c1-2-15-8-12-6(9)11-7(13-8)10-4-3-5-14/h14H,2-5H2,1H3,(H3,9,10,11,12,13)
InChIKeyZCKDJMISXOEMFC-UHFFFAOYSA-N
XLogP-0.35
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150044
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
2-N-[3-(diethylamino)propyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80778025
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 80772035) is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is CCOc1nc(N)nc(NCCCO)n1.
What is the InChIKey of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is ZCKDJMISXOEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-2-15-8-12-6(9)11-7(13-8)10-4-3-5-14/h14H,2-5H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 213.24 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 80772035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).