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

C19H17N3O3 — CID 2721682

IUPAC6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-17(23)15(18(24)22(2)19(21)25)12-20-16-11-7-6-10-14(16)13-8-4-3-5-9-13/h3-12,23H,1-2H3/b20-12+
InChIKeyXYXHBFAKCYKEII-UDWIEESQSA-N
MW335.36 g/mol
LogP2.21
Rot. Bonds3

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

6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 2721682) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID2721682
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccccc2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-17(23)15(18(24)22(2)19(21)25)12-20-16-11-7-6-10-14(16)13-8-4-3-5-9-13/h3-12,23H,1-2H3/b20-12+
InChIKeyXYXHBFAKCYKEII-UDWIEESQSA-N
XLogP2.21
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.21
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-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione (CID 2721682) is 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccccc2-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is XYXHBFAKCYKEII-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-17(23)15(18(24)22(2)19(21)25)12-20-16-11-7-6-10-14(16)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-phenylphenyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.21, 3 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-[(2-phenylphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2721682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).