6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione

C14H15N3O3 — CID 1375946

IUPAC6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+
InChIKeyREAVDXHXSJHYEP-OVCLIPMQSA-N
MW273.29 g/mol
LogP0.85
Rot. Bonds2

About 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1375946) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1375946
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+
InChIKeyREAVDXHXSJHYEP-OVCLIPMQSA-N
XLogP0.85
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1375946) is 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is Cc1cccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is REAVDXHXSJHYEP-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-4-6-10(7-9)15-8-11-12(18)16(2)14(20)17(3)13(11)19/h4-8,18H,1-3H3/b15-8+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(3-methylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1375946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).