6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione

C14H15N3O3 — CID 2193744

IUPAC6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-7-4-8(2)11(9(3)5-7)15-6-10-12(18)16-14(20)17-13(10)19/h4-6H,1-3H3,(H3,16,17,18,19,20)/b15-6+
InChIKeyCQZKTFTWSUONQX-GIDUJCDVSA-N
MW273.29 g/mol
LogP1.44
Rot. Bonds2

About 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2193744) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID2193744
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H15N3O3/c1-7-4-8(2)11(9(3)5-7)15-6-10-12(18)16-14(20)17-13(10)19/h4-6H,1-3H3,(H3,16,17,18,19,20)/b15-6+
InChIKeyCQZKTFTWSUONQX-GIDUJCDVSA-N
XLogP1.44
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione (CID 2193744) is 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione is Cc1cc(C)c(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CQZKTFTWSUONQX-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-4-8(2)11(9(3)5-7)15-6-10-12(18)16-14(20)17-13(10)19/h4-6H,1-3H3,(H3,16,17,18,19,20)/b15-6+.
What are the key properties of 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 273.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(2,4,6-trimethylphenyl)iminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2193744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).