N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C24H24N6O6 — CID 55600439

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C24H24N6O6/c1-36-12-11-28-20(25)19(21(32)27-24(28)35)29(13-15-7-3-2-4-8-15)18(31)14-30-22(33)16-9-5-6-10-17(16)26-23(30)34/h2-10H,11-14,25H2,1H3,(H,26,34)(H,27,32,35)
InChIKeyZYJDTVDCGPVPBK-UHFFFAOYSA-N
MW492.49 g/mol
LogP0.00
Rot. Bonds8

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 55600439) has the molecular formula C24H24N6O6 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID55600439
Molecular FormulaC24H24N6O6
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c(=O)[nH]c1=O
InChIInChI=1S/C24H24N6O6/c1-36-12-11-28-20(25)19(21(32)27-24(28)35)29(13-15-7-3-2-4-8-15)18(31)14-30-22(33)16-9-5-6-10-17(16)26-23(30)34/h2-10H,11-14,25H2,1H3,(H,26,34)(H,27,32,35)
InChIKeyZYJDTVDCGPVPBK-UHFFFAOYSA-N
XLogP0.00
TPSA165.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 27668783
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42906788
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035654
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 4816263
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-bromophenoxy)propanamide
CID 42906789
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-nitrobenzamide
CID 4847794

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 55600439) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is ZYJDTVDCGPVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O6/c1-36-12-11-28-20(25)19(21(32)27-24(28)35)29(13-15-7-3-2-4-8-15)18(31)14-30-22(33)16-9-5-6-10-17(16)26-23(30)34/h2-10H,11-14,25H2,1H3,(H,26,34)(H,27,32,35).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 492.49 g/mol, XLogP of 0.00, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 55600439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).