ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate

C15H20N4O2 — CID 90676310

IUPACethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC(C)C)nc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-4-21-13(20)9-16-14-11-7-5-6-8-12(11)18-15(19-14)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXJQKYWQZBKNFK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate

ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate (PubChem CID 90676310) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
PubChem CID90676310
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC(C)C)nc2ccccc12
InChIInChI=1S/C15H20N4O2/c1-4-21-13(20)9-16-14-11-7-5-6-8-12(11)18-15(19-14)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXJQKYWQZBKNFK-UHFFFAOYSA-N
XLogP2.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
CID 80771008
ethyl 3-[(2-chloroquinazolin-4-yl)amino]propanoate
CID 62477868
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
ethyl 2-[(5-amino-3-methylisoquinolin-1-yl)amino]acetate
CID 82570776
methyl 2-[[2-(aminomethyl)quinazolin-4-yl]amino]acetate;2-methylbenzenethiol
CID 143396550
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
ethyl 2-[[3-(4-methylphenyl)sulfonylquinoxalin-2-yl]amino]acetate
CID 46506951
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate (CID 90676310) is ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate is CCOC(=O)CNc1nc(NC(C)C)nc2ccccc12.
What is the InChIKey of ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate?
The InChIKey is WXJQKYWQZBKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-21-13(20)9-16-14-11-7-5-6-8-12(11)18-15(19-14)17-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate?
ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate has a molecular weight of 288.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(propan-2-ylamino)quinazolin-4-yl]amino]acetate is sourced from PubChem (CID 90676310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).