5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C19H26N4O4 — CID 3813465

IUPAC5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\CCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-5-15(20-11-6-12-22(2)3)16-17(24)21-19(26)23(18(16)25)13-7-9-14(27-4)10-8-13/h7-10,25H,5-6,11-12H2,1-4H3,(H,21,24,26)/b20-15+
InChIKeyYSEYSHBVAHRQMP-HMMYKYKNSA-N
MW374.44 g/mol
LogP1.39
Rot. Bonds8

About 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 3813465) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID3813465
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCC/C(=N\CCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-5-15(20-11-6-12-22(2)3)16-17(24)21-19(26)23(18(16)25)13-7-9-14(27-4)10-8-13/h7-10,25H,5-6,11-12H2,1-4H3,(H,21,24,26)/b20-15+
InChIKeyYSEYSHBVAHRQMP-HMMYKYKNSA-N
XLogP1.39
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 3813465) is 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is CC/C(=N\CCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is YSEYSHBVAHRQMP-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-15(20-11-6-12-22(2)3)16-17(24)21-19(26)23(18(16)25)13-7-9-14(27-4)10-8-13/h7-10,25H,5-6,11-12H2,1-4H3,(H,21,24,26)/b20-15+.
What are the key properties of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3813465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).