methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate

C13H16N4O2 — CID 80777540

IUPACmethyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
SMILESCCNc1nc(NCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H16N4O2/c1-3-14-13-16-10-7-5-4-6-9(10)12(17-13)15-8-11(18)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHBJAUYSVLHOFNG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate

methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate (PubChem CID 80777540) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
PubChem CID80777540
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
SMILESCCNc1nc(NCC(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H16N4O2/c1-3-14-13-16-10-7-5-4-6-9(10)12(17-13)15-8-11(18)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyHBJAUYSVLHOFNG-UHFFFAOYSA-N
XLogP1.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
CID 90676310
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
CID 80771008
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
CID 142877709
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate (CID 80777540) is methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate is CCNc1nc(NCC(=O)OC)c2ccccc2n1.
What is the InChIKey of methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate?
The InChIKey is HBJAUYSVLHOFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-14-13-16-10-7-5-4-6-9(10)12(17-13)15-8-11(18)19-2/h4-7H,3,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate?
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate has a molecular weight of 260.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate is sourced from PubChem (CID 80777540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).