N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide

C21H26N6O5 — CID 55433414

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O5/c1-4-6-11-26-17(22)16(18(29)23-20(26)31)24(3)15(28)12-27-14-10-8-7-9-13(14)19(30)25(5-2)21(27)32/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,29,31)
InChIKeyNJCHBVHEANZJBM-UHFFFAOYSA-N
MW442.48 g/mol
LogP0.08
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide (PubChem CID 55433414) has the molecular formula C21H26N6O5 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
PubChem CID55433414
Molecular FormulaC21H26N6O5
Molecular Weight442.48 g/mol
Exact Mass442.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
SMILESCCCCn1c(N)c(N(C)C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O5/c1-4-6-11-26-17(22)16(18(29)23-20(26)31)24(3)15(28)12-27-14-10-8-7-9-13(14)19(30)25(5-2)21(27)32/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,29,31)
InChIKeyNJCHBVHEANZJBM-UHFFFAOYSA-N
XLogP0.08
TPSA145.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 55339295
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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)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methylacetamide
CID 55339235
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 55339130
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)-N-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55339175
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-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide (CID 55433414) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide is CCCCn1c(N)c(N(C)C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
The InChIKey is NJCHBVHEANZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5/c1-4-6-11-26-17(22)16(18(29)23-20(26)31)24(3)15(28)12-27-14-10-8-7-9-13(14)19(30)25(5-2)21(27)32/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide has a molecular weight of 442.48 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 55433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).