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

C13H14N4O3 — CID 2369564

IUPAC6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)nc1
InChIInChI=1S/C13H14N4O3/c1-8-4-5-10(14-6-8)15-7-9-11(18)16(2)13(20)17(3)12(9)19/h4-7,18H,1-3H3/b15-7+
InChIKeyMFVKMVXFIHMKLU-VIZOYTHASA-N
MW274.28 g/mol
LogP0.24
Rot. Bonds2

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

6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 2369564) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID2369564
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione
SMILESCc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)nc1
InChIInChI=1S/C13H14N4O3/c1-8-4-5-10(14-6-8)15-7-9-11(18)16(2)13(20)17(3)12(9)19/h4-7,18H,1-3H3/b15-7+
InChIKeyMFVKMVXFIHMKLU-VIZOYTHASA-N
XLogP0.24
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.24
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-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione (CID 2369564) is 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione is Cc1ccc(/N=C/c2c(O)n(C)c(=O)n(C)c2=O)nc1.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is MFVKMVXFIHMKLU-VIZOYTHASA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-4-5-10(14-6-8)15-7-9-11(18)16(2)13(20)17(3)12(9)19/h4-7,18H,1-3H3/b15-7+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.24, 2 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-[(5-methyl-2-pyridinyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2369564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).