6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

C19H21N5O4 — CID 3774390

IUPAC6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H21N5O4/c1-28-15-5-3-14(4-6-15)12-24-18(26)16(17(25)22-19(24)27)11-20-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13,26H,2,7,9,12H2,1H3,(H,22,25,27)/b20-11+
InChIKeyRGCZGOMFLUTNCB-RGVLZGJSSA-N
MW383.41 g/mol
LogP1.00
Rot. Bonds8

About 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3774390) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID3774390
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H21N5O4/c1-28-15-5-3-14(4-6-15)12-24-18(26)16(17(25)22-19(24)27)11-20-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13,26H,2,7,9,12H2,1H3,(H,22,25,27)/b20-11+
InChIKeyRGCZGOMFLUTNCB-RGVLZGJSSA-N
XLogP1.00
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151044
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-methoxybenzyl)ethanediamide
CID 2958937
5-[1-(4-Hydroxy-benzyl)-4-(4-methoxy-benzyl)-1H-imidazol-2-ylamino]-3-methyl-imidazole-2,4-dione
CID 135512509
(5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3697816
(5E)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}propylidene)-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
CID 3827908
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 4977015
N-(3-Imidazol-1-yl-propyl)-4-methoxy-benzamide
CID 6603491
N-Benzyl-2-({1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151046
(2E)-2-cyano-N-[3-(1H-imidazol-1-yl)propyl]-3-(4-methoxyphenyl)prop-2-enamide-benzene (1:1)
CID 15945271
Imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118721891

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 3774390) is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1ccc(Cn2c(O)c(/C=N/CCCn3ccnc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RGCZGOMFLUTNCB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-28-15-5-3-14(4-6-15)12-24-18(26)16(17(25)22-19(24)27)11-20-7-2-9-23-10-8-21-13-23/h3-6,8,10-11,13,26H,2,7,9,12H2,1H3,(H,22,25,27)/b20-11+.
What are the key properties of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione?
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3774390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).