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

C10H17N5O3 — CID 4166805

IUPAC2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
SMILESCCNc1nc(NCC)nc(C(=O)OCCO)n1
InChIInChI=1S/C10H17N5O3/c1-3-11-9-13-7(8(17)18-6-5-16)14-10(15-9)12-4-2/h16H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyCTPBVGSIQCWYMX-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.12
Rot. Bonds7

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

2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate (PubChem CID 4166805) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
PubChem CID4166805
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate
SMILESCCNc1nc(NCC)nc(C(=O)OCCO)n1
InChIInChI=1S/C10H17N5O3/c1-3-11-9-13-7(8(17)18-6-5-16)14-10(15-9)12-4-2/h16H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyCTPBVGSIQCWYMX-UHFFFAOYSA-N
XLogP-0.12
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate (CID 4166805) is 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate is CCNc1nc(NCC)nc(C(=O)OCCO)n1.
What is the InChIKey of 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
The InChIKey is CTPBVGSIQCWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-11-9-13-7(8(17)18-6-5-16)14-10(15-9)12-4-2/h16H,3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate?
2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate has a molecular weight of 255.28 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4,6-bis(ethylamino)-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 4166805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).