N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

C19H22N6O4 — CID 55339295

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cn2cnc3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N6O4/c1-3-4-9-25-16(20)15(17(27)22-19(25)29)23(2)14(26)10-24-11-21-13-8-6-5-7-12(13)18(24)28/h5-8,11H,3-4,9-10,20H2,1-2H3,(H,22,27,29)
InChIKeyNMXRPQYFNKDGTK-UHFFFAOYSA-N
MW398.42 g/mol
LogP0.29
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 55339295) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID55339295
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cn2cnc3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N6O4/c1-3-4-9-25-16(20)15(17(27)22-19(25)29)23(2)14(26)10-24-11-21-13-8-6-5-7-12(13)18(24)28/h5-8,11H,3-4,9-10,20H2,1-2H3,(H,22,27,29)
InChIKeyNMXRPQYFNKDGTK-UHFFFAOYSA-N
XLogP0.29
TPSA136.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide 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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287083
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
CID 55433414
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenyl)-N-methylacetamide
CID 8918069
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55380567
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
CID 55339235
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pentylpropanamide
CID 24594255
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 9167061
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55487587
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(4-oxo-3H-quinazolin-2-yl)-N-propylpropanamide
CID 135857713
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 55339295) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is CCCCn1c(N)c(N(C)C(=O)Cn2cnc3ccccc3c2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NMXRPQYFNKDGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-3-4-9-25-16(20)15(17(27)22-19(25)29)23(2)14(26)10-24-11-21-13-8-6-5-7-12(13)18(24)28/h5-8,11H,3-4,9-10,20H2,1-2H3,(H,22,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55339295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).