1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

C19H25N3O5 — CID 3813406

IUPAC1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(C)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O5/c1-5-6-7-22-18(24)16(17(23)21-19(22)25)12(2)20-11-13-8-14(26-3)10-15(9-13)27-4/h8-10,24H,5-7,11H2,1-4H3,(H,21,23,25)/b20-12+
InChIKeyYEJWCSJOAOYLQV-UDWIEESQSA-N
MW375.43 g/mol
LogP2.07
Rot. Bonds8

About 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione

1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 3813406) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID3813406
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCCCn1c(O)c(/C(C)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N3O5/c1-5-6-7-22-18(24)16(17(23)21-19(22)25)12(2)20-11-13-8-14(26-3)10-15(9-13)27-4/h8-10,24H,5-7,11H2,1-4H3,(H,21,23,25)/b20-12+
InChIKeyYEJWCSJOAOYLQV-UDWIEESQSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione (CID 3813406) is 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is CCCCn1c(O)c(/C(C)=N/Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is YEJWCSJOAOYLQV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-6-7-22-18(24)16(17(23)21-19(22)25)12(2)20-11-13-8-14(26-3)10-15(9-13)27-4/h8-10,24H,5-7,11H2,1-4H3,(H,21,23,25)/b20-12+.
What are the key properties of 1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione?
1-butyl-5-[N-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 2.07, 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-[(3,5-dimethoxyphenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 3813406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).