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

C8H15N5O2 — CID 80778446

IUPAC2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(N)nc(NC(C)CO)n1
InChIInChI=1S/C8H15N5O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyCABBMEWZRLUHJO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.35
Rot. Bonds5

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

2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 80778446) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID80778446
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(N)nc(NC(C)CO)n1
InChIInChI=1S/C8H15N5O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H3,9,10,11,12,13)
InChIKeyCABBMEWZRLUHJO-UHFFFAOYSA-N
XLogP-0.35
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
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

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Related Compounds

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388
2-[[4-amino-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 68938423
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665
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
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
6-ethoxy-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780976
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80801788

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 80778446) is 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is CCOc1nc(N)nc(NC(C)CO)n1.
What is the InChIKey of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is CABBMEWZRLUHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H3,9,10,11,12,13).
What are the key properties of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-[(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, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 80778446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).