N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide

C18H22Cl2N4O4 — CID 27930614

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-3-5-8-24-16(21)15(17(26)22-18(24)27)23(4-2)14(25)10-28-13-9-11(19)6-7-12(13)20/h6-7,9H,3-5,8,10,21H2,1-2H3,(H,22,26,27)
InChIKeyPFDINZRHSCHFHO-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.66
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide (PubChem CID 27930614) has the molecular formula C18H22Cl2N4O4 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
PubChem CID27930614
Molecular FormulaC18H22Cl2N4O4
Molecular Weight429.30 g/mol
Exact Mass428.10
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C18H22Cl2N4O4/c1-3-5-8-24-16(21)15(17(26)22-18(24)27)23(4-2)14(25)10-28-13-9-11(19)6-7-12(13)20/h6-7,9H,3-5,8,10,21H2,1-2H3,(H,22,26,27)
InChIKeyPFDINZRHSCHFHO-UHFFFAOYSA-N
XLogP2.66
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-pentylacetamide
CID 24562984
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
CID 4792116
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 4805501
methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
CID 9019525
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 7505925
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290627
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 3,4-difluorobenzoate
CID 30307006
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)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 8598664
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide (CID 27930614) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide is CCCCn1c(N)c(N(CC)C(=O)COc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide?
The InChIKey is PFDINZRHSCHFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O4/c1-3-5-8-24-16(21)15(17(26)22-18(24)27)23(4-2)14(25)10-28-13-9-11(19)6-7-12(13)20/h6-7,9H,3-5,8,10,21H2,1-2H3,(H,22,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide has a molecular weight of 429.30 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 27930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).