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

C19H18N4O3 — CID 657430

IUPAC6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-17(24)16(18(25)23(2)19(22)26)12-21-15-5-3-13(4-6-15)11-14-7-9-20-10-8-14/h3-10,12,24H,11H2,1-2H3/b21-12+
InChIKeyOLRWZXUPCXUFTL-CIAFOILYSA-N
MW350.38 g/mol
LogP1.53
Rot. Bonds4

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

6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (PubChem CID 657430) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
PubChem CID657430
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-17(24)16(18(25)23(2)19(22)26)12-21-15-5-3-13(4-6-15)11-14-7-9-20-10-8-14/h3-10,12,24H,11H2,1-2H3/b21-12+
InChIKeyOLRWZXUPCXUFTL-CIAFOILYSA-N
XLogP1.53
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.53
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-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione (CID 657430) is 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is Cn1c(O)c(/C=N/c2ccc(Cc3ccncc3)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
The InChIKey is OLRWZXUPCXUFTL-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-17(24)16(18(25)23(2)19(22)26)12-21-15-5-3-13(4-6-15)11-14-7-9-20-10-8-14/h3-10,12,24H,11H2,1-2H3/b21-12+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 1.53, 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-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 657430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).