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

C19H17N3O3S — CID 1321643

IUPAC6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2Sc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3S/c1-21-17(23)14(18(24)22(2)19(21)25)12-20-15-10-6-7-11-16(15)26-13-8-4-3-5-9-13/h3-12,23H,1-2H3/b20-12+
InChIKeyGJGJMGOGYPWKJI-UDWIEESQSA-N
MW367.43 g/mol
LogP2.69
Rot. Bonds4

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

6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 1321643) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID1321643
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2Sc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3S/c1-21-17(23)14(18(24)22(2)19(21)25)12-20-15-10-6-7-11-16(15)26-13-8-4-3-5-9-13/h3-12,23H,1-2H3/b20-12+
InChIKeyGJGJMGOGYPWKJI-UDWIEESQSA-N
XLogP2.69
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 1321643) is 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccccc2Sc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is GJGJMGOGYPWKJI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-21-17(23)14(18(24)22(2)19(21)25)12-20-15-10-6-7-11-16(15)26-13-8-4-3-5-9-13/h3-12,23H,1-2H3/b20-12+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(2-phenylsulfanylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1321643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).