2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol

C10H19N5O3 — CID 80796977

IUPAC2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCCOc1nc(N)nc(N(CCO)CCO)n1
InChIInChI=1S/C10H19N5O3/c1-2-7-18-10-13-8(11)12-9(14-10)15(3-5-16)4-6-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyOODIHZOXFLUMID-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.97
Rot. Bonds8

About 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol

2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 80796977) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID80796977
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCCOc1nc(N)nc(N(CCO)CCO)n1
InChIInChI=1S/C10H19N5O3/c1-2-7-18-10-13-8(11)12-9(14-10)15(3-5-16)4-6-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14)
InChIKeyOODIHZOXFLUMID-UHFFFAOYSA-N
XLogP-0.97
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80806098
2-[(4,6-dihexadecoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 3103367
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 107495210
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]ethanol
CID 80859663
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 80796977) is 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol is CCCOc1nc(N)nc(N(CCO)CCO)n1.
What is the InChIKey of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OODIHZOXFLUMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-2-7-18-10-13-8(11)12-9(14-10)15(3-5-16)4-6-17/h16-17H,2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 257.29 g/mol, XLogP of -0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 80796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).