1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H25N3O5 — CID 3784460

IUPAC1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/c2ccc(OC)cc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O5/c1-5-7-10-22-18(24)16(17(23)21-19(22)25)13(6-2)20-14-9-8-12(26-3)11-15(14)27-4/h8-9,11,24H,5-7,10H2,1-4H3,(H,21,23,25)/b20-13+
InChIKeyTWGOJNOPRSZSEO-DEDYPNTBSA-N
MW375.43 g/mol
LogP2.59
Rot. Bonds8

About 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3784460) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3784460
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(CC)=N/c2ccc(OC)cc2OC)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O5/c1-5-7-10-22-18(24)16(17(23)21-19(22)25)13(6-2)20-14-9-8-12(26-3)11-15(14)27-4/h8-9,11,24H,5-7,10H2,1-4H3,(H,21,23,25)/b20-13+
InChIKeyTWGOJNOPRSZSEO-DEDYPNTBSA-N
XLogP2.59
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3784460) is 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(/C(CC)=N/c2ccc(OC)cc2OC)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is TWGOJNOPRSZSEO-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-7-10-22-18(24)16(17(23)21-19(22)25)13(6-2)20-14-9-8-12(26-3)11-15(14)27-4/h8-9,11,24H,5-7,10H2,1-4H3,(H,21,23,25)/b20-13+.
What are the key properties of 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[N-(2,4-dimethoxyphenyl)-C-ethylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3784460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).