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

C21H23ClN4O5 — CID 24980841

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23ClN4O5/c1-3-10-26-18(23)17(19(27)24-21(26)29)25(11-12-30-2)20(28)16-9-8-15(31-16)13-4-6-14(22)7-5-13/h4-9H,3,10-12,23H2,1-2H3,(H,24,27,29)
InChIKeyXWXRNEVCBQKAFF-UHFFFAOYSA-N
MW446.89 g/mol
LogP2.74
Rot. Bonds8

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

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 24980841) has the molecular formula C21H23ClN4O5 and a molecular weight of 446.89 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID24980841
Molecular FormulaC21H23ClN4O5
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23ClN4O5/c1-3-10-26-18(23)17(19(27)24-21(26)29)25(11-12-30-2)20(28)16-9-8-15(31-16)13-4-6-14(22)7-5-13/h4-9H,3,10-12,23H2,1-2H3,(H,24,27,29)
InChIKeyXWXRNEVCBQKAFF-UHFFFAOYSA-N
XLogP2.74
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-(4-chlorophenyl)furan-2-carboxamide
CID 25102512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
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)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26120760
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55344943
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-(4-nitrophenyl)furan-2-carboxamide
CID 16959407
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,5-dichloro-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39773263
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4847773
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide (CID 24980841) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is XWXRNEVCBQKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O5/c1-3-10-26-18(23)17(19(27)24-21(26)29)25(11-12-30-2)20(28)16-9-8-15(31-16)13-4-6-14(22)7-5-13/h4-9H,3,10-12,23H2,1-2H3,(H,24,27,29).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 24980841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).