4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide

C14H18N6O — CID 1088144

IUPAC4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
SMILESCCNc1nc(NCC)nc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H18N6O/c1-3-15-13-18-11(19-14(20-13)16-4-2)12(21)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,17,21)(H2,15,16,18,19,20)
InChIKeyZDOXKFXSDLMDMZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.99
Rot. Bonds6

About 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide

4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide (PubChem CID 1088144) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
PubChem CID1088144
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
SMILESCCNc1nc(NCC)nc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H18N6O/c1-3-15-13-18-11(19-14(20-13)16-4-2)12(21)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,17,21)(H2,15,16,18,19,20)
InChIKeyZDOXKFXSDLMDMZ-UHFFFAOYSA-N
XLogP1.99
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide (CID 1088144) is 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide is CCNc1nc(NCC)nc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The InChIKey is ZDOXKFXSDLMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-15-13-18-11(19-14(20-13)16-4-2)12(21)17-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,17,21)(H2,15,16,18,19,20).
What are the key properties of 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 1088144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).