ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine

C9H18N6O3 — CID 174862122

IUPACethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOC(=O)C(C)O.CNc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O3.C4H8N6/c1-3-8-5(7)4(2)6;1-7-4-9-2(5)8-3(6)10-4/h4,6H,3H2,1-2H3;1H3,(H5,5,6,7,8,9,10)
InChIKeyCJSPZULNPWYYJV-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.99
Rot. Bonds3

About ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine

ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 174862122) has the molecular formula C9H18N6O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID174862122
Molecular FormulaC9H18N6O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Nameethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOC(=O)C(C)O.CNc1nc(N)nc(N)n1
InChIInChI=1S/C5H10O3.C4H8N6/c1-3-8-5(7)4(2)6;1-7-4-9-2(5)8-3(6)10-4/h4,6H,3H2,1-2H3;1H3,(H5,5,6,7,8,9,10)
InChIKeyCJSPZULNPWYYJV-UHFFFAOYSA-N
XLogP-0.99
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

Methoxymethane;methyl 2-hydroxyacetate;1,3,5-triazine-2,4,6-triamine
CID 70520922
Methyl melamine glycolate methyl ether
CID 70520923
2-hydroxyacetic acid;methoxymethane;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 70520925
2-Hydroxypropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 157803527
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 12641791
2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]propanoic acid
CID 22294705
2-[[4-(Methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]oxy]ethanol
CID 80865413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 174862122) is ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCOC(=O)C(C)O.CNc1nc(N)nc(N)n1.
What is the InChIKey of ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CJSPZULNPWYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H8N6/c1-3-8-5(7)4(2)6;1-7-4-9-2(5)8-3(6)10-4/h4,6H,3H2,1-2H3;1H3,(H5,5,6,7,8,9,10).
What are the key properties of ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 258.28 g/mol, XLogP of -0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174862122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).