[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C19H19N5O6 — CID 135775999

IUPAC[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCCn1c(N)c(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O6/c1-2-24-16(20)15(18(28)23-19(24)29)12(25)9-30-14(26)8-7-13-21-11-6-4-3-5-10(11)17(27)22-13/h3-6H,2,7-9,20H2,1H3,(H,21,22,27)(H,23,28,29)
InChIKeyQMFFKTTYTWGBNL-UHFFFAOYSA-N
MW413.39 g/mol
LogP-0.27
Rot. Bonds7

About [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135775999) has the molecular formula C19H19N5O6 and a molecular weight of 413.39 g/mol. Its IUPAC name is [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135775999
Molecular FormulaC19H19N5O6
Molecular Weight413.39 g/mol
Exact Mass413.13
IUPAC Name[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESCCn1c(N)c(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C19H19N5O6/c1-2-24-16(20)15(18(28)23-19(24)29)12(25)9-30-14(26)8-7-13-21-11-6-4-3-5-10(11)17(27)22-13/h3-6H,2,7-9,20H2,1H3,(H,21,22,27)(H,23,28,29)
InChIKeyQMFFKTTYTWGBNL-UHFFFAOYSA-N
XLogP-0.27
TPSA170.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135401281
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135500583
[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2570450
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510173
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate
CID 2483422
[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135399995
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135438630
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464752
methyl 1-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 135473637
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135521585
[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135526768

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135775999) is [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is CCn1c(N)c(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is QMFFKTTYTWGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O6/c1-2-24-16(20)15(18(28)23-19(24)29)12(25)9-30-14(26)8-7-13-21-11-6-4-3-5-10(11)17(27)22-13/h3-6H,2,7-9,20H2,1H3,(H,21,22,27)(H,23,28,29).
What are the key properties of [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 413.39 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135775999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).