2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate

C10H17N5O3 — CID 662956

IUPAC2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate
SMILESCN(C)c1nc(C(=O)OCCO)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O3/c1-14(2)9-11-7(8(17)18-6-5-16)12-10(13-9)15(3)4/h16H,5-6H2,1-4H3
InChIKeyZAOOCOJMEUUAPP-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.85
Rot. Bonds5

About 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate

2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate (PubChem CID 662956) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate
PubChem CID662956
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate
SMILESCN(C)c1nc(C(=O)OCCO)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O3/c1-14(2)9-11-7(8(17)18-6-5-16)12-10(13-9)15(3)4/h16H,5-6H2,1-4H3
InChIKeyZAOOCOJMEUUAPP-UHFFFAOYSA-N
XLogP-0.85
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate (CID 662956) is 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate is CN(C)c1nc(C(=O)OCCO)nc(N(C)C)n1.
What is the InChIKey of 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate?
The InChIKey is ZAOOCOJMEUUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14(2)9-11-7(8(17)18-6-5-16)12-10(13-9)15(3)4/h16H,5-6H2,1-4H3.
What are the key properties of 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate?
2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate has a molecular weight of 255.28 g/mol, XLogP of -0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 662956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).