5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C15H15N3O4 — CID 1396359

IUPAC5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/C3CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H15N3O4/c1-22-11-6-4-10(5-7-11)18-14(20)12(8-16-9-2-3-9)13(19)17-15(18)21/h4-9,20H,2-3H2,1H3,(H,17,19,21)/b16-8+
InChIKeyMJNQQSBCFZVEID-LZYBPNLTSA-N
MW301.30 g/mol
LogP0.82
Rot. Bonds4

About 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 1396359) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID1396359
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(/C=N/C3CC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H15N3O4/c1-22-11-6-4-10(5-7-11)18-14(20)12(8-16-9-2-3-9)13(19)17-15(18)21/h4-9,20H,2-3H2,1H3,(H,17,19,21)/b16-8+
InChIKeyMJNQQSBCFZVEID-LZYBPNLTSA-N
XLogP0.82
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 1396359) is 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(/C=N/C3CC3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is MJNQQSBCFZVEID-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-11-6-4-10(5-7-11)18-14(20)12(8-16-9-2-3-9)13(19)17-15(18)21/h4-9,20H,2-3H2,1H3,(H,17,19,21)/b16-8+.
What are the key properties of 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 301.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropyliminomethyl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 1396359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).