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

C20H24N6O4 — CID 9287083

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)Cn2cnc3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N6O4/c1-3-5-10-26-17(21)16(18(28)23-20(26)30)25(4-2)15(27)11-24-12-22-14-9-7-6-8-13(14)19(24)29/h6-9,12H,3-5,10-11,21H2,1-2H3,(H,23,28,30)
InChIKeyOAOBQPWYKFNDOL-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.68
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9287083) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9287083
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)Cn2cnc3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C20H24N6O4/c1-3-5-10-26-17(21)16(18(28)23-20(26)30)25(4-2)15(27)11-24-12-22-14-9-7-6-8-13(14)19(24)29/h6-9,12H,3-5,10-11,21H2,1-2H3,(H,23,28,30)
InChIKeyOAOBQPWYKFNDOL-UHFFFAOYSA-N
XLogP0.68
TPSA136.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8615527
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 43012919
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
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-ethyl-2-(2-methylphenyl)sulfanylacetamide
CID 29310183
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide
CID 29310138
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
CID 18077269
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-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18209179
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-(3-methylbutyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55487587

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 9287083) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCCCn1c(N)c(N(CC)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-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OAOBQPWYKFNDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-3-5-10-26-17(21)16(18(28)23-20(26)30)25(4-2)15(27)11-24-12-22-14-9-7-6-8-13(14)19(24)29/h6-9,12H,3-5,10-11,21H2,1-2H3,(H,23,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 0.68, 7 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-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9287083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).