N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide

C22H21ClN8O3 — CID 38873143

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H21ClN8O3/c1-2-29(17(32)13-31-27-20(26-28-31)15-8-10-16(23)11-9-15)18-19(24)30(22(34)25-21(18)33)12-14-6-4-3-5-7-14/h3-11H,2,12-13,24H2,1H3,(H,25,33,34)
InChIKeyUUJVHWXOURNOBP-UHFFFAOYSA-N
MW480.92 g/mol
LogP1.53
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide (PubChem CID 38873143) has the molecular formula C22H21ClN8O3 and a molecular weight of 480.92 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide
PubChem CID38873143
Molecular FormulaC22H21ClN8O3
Molecular Weight480.92 g/mol
Exact Mass480.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H21ClN8O3/c1-2-29(17(32)13-31-27-20(26-28-31)15-8-10-16(23)11-9-15)18-19(24)30(22(34)25-21(18)33)12-14-6-4-3-5-7-14/h3-11H,2,12-13,24H2,1H3,(H,25,33,34)
InChIKeyUUJVHWXOURNOBP-UHFFFAOYSA-N
XLogP1.53
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 43056155
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2089001
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 9116783
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2565576
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3882558
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-ethylacetamide
CID 56542791
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2124166
4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 30803932
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429458

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide (CID 38873143) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide is CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide?
The InChIKey is UUJVHWXOURNOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8O3/c1-2-29(17(32)13-31-27-20(26-28-31)15-8-10-16(23)11-9-15)18-19(24)30(22(34)25-21(18)33)12-14-6-4-3-5-7-14/h3-11H,2,12-13,24H2,1H3,(H,25,33,34).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide has a molecular weight of 480.92 g/mol, XLogP of 1.53, 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-benzyl-2,4-dioxopyrimidin-5-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 38873143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).