N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide

C13H17N5O — CID 80787683

IUPACN-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C13H17N5O/c1-3-15-11(19)8-16-12-9-6-4-5-7-10(9)17-13(14-2)18-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyGLXBSGXLLOEOKF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.22
Rot. Bonds5

About N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide

N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide (PubChem CID 80787683) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
PubChem CID80787683
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(NC)nc2ccccc12
InChIInChI=1S/C13H17N5O/c1-3-15-11(19)8-16-12-9-6-4-5-7-10(9)17-13(14-2)18-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyGLXBSGXLLOEOKF-UHFFFAOYSA-N
XLogP1.22
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide (CID 80787683) is N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide is CCNC(=O)CNc1nc(NC)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide?
The InChIKey is GLXBSGXLLOEOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-15-11(19)8-16-12-9-6-4-5-7-10(9)17-13(14-2)18-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide?
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 80787683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).