N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide

C22H25ClN4O4 — CID 25102512

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H25ClN4O4/c1-3-5-13-26(18-19(24)27(12-4-2)22(30)25-20(18)28)21(29)17-11-10-16(31-17)14-6-8-15(23)9-7-14/h6-11H,3-5,12-13,24H2,1-2H3,(H,25,28,30)
InChIKeyXJDGZEMADOYGHB-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.89
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 25102512) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID25102512
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H25ClN4O4/c1-3-5-13-26(18-19(24)27(12-4-2)22(30)25-20(18)28)21(29)17-11-10-16(31-17)14-6-8-15(23)9-7-14/h6-11H,3-5,12-13,24H2,1-2H3,(H,25,28,30)
InChIKeyXJDGZEMADOYGHB-UHFFFAOYSA-N
XLogP3.89
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 24980841
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-nitrophenyl)furan-2-carboxamide
CID 16959407
5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide
CID 16550906
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-nitrophenyl)acetamide
CID 42996309
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
CID 4796613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-(4-chlorophenyl)thiophene-2-carboxamide
CID 55340602
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propanamide
CID 18231375
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-benzyl-N-butyl-6-oxopyridazine-3-carboxamide
CID 42996362

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide (CID 25102512) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide is CCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is XJDGZEMADOYGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4/c1-3-5-13-26(18-19(24)27(12-4-2)22(30)25-20(18)28)21(29)17-11-10-16(31-17)14-6-8-15(23)9-7-14/h6-11H,3-5,12-13,24H2,1-2H3,(H,25,28,30).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 444.92 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 25102512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).