N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide

C20H20N4O4 — CID 8801016

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H20N4O4/c1-23(19(26)14-9-6-10-15(11-14)28-2)16-17(21)24(20(27)22-18(16)25)12-13-7-4-3-5-8-13/h3-11H,12,21H2,1-2H3,(H,22,25,27)
InChIKeyHXRLVPBLVRVIFZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.45
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide (PubChem CID 8801016) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
PubChem CID8801016
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C20H20N4O4/c1-23(19(26)14-9-6-10-15(11-14)28-2)16-17(21)24(20(27)22-18(16)25)12-13-7-4-3-5-8-13/h3-11H,12,21H2,1-2H3,(H,22,25,27)
InChIKeyHXRLVPBLVRVIFZ-UHFFFAOYSA-N
XLogP1.45
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenoxybenzamide
CID 4825518
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 55989757
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methoxy-N-propylbenzamide
CID 8800330
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 8801145
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(3-chlorophenyl)-N-methylpyrazole-4-carboxamide
CID 55883929
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 55477513
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-3-pyrrol-1-ylbenzamide
CID 25333302

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide (CID 8801016) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide?
The InChIKey is HXRLVPBLVRVIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-23(19(26)14-9-6-10-15(11-14)28-2)16-17(21)24(20(27)22-18(16)25)12-13-7-4-3-5-8-13/h3-11H,12,21H2,1-2H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide has a molecular weight of 380.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 8801016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).