1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione

C19H20N2O3S — CID 90901042

IUPAC1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3cccs3)c2=O)cc1
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)14-8-6-13(7-9-14)12-20-15(22)11-16(23)21(18(20)24)17-5-4-10-25-17/h4-11,22H,12H2,1-3H3
InChIKeyYGWGUVFJZZRBRZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.11
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione

1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione (PubChem CID 90901042) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione
PubChem CID90901042
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione
SMILESCC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3cccs3)c2=O)cc1
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)14-8-6-13(7-9-14)12-20-15(22)11-16(23)21(18(20)24)17-5-4-10-25-17/h4-11,22H,12H2,1-3H3
InChIKeyYGWGUVFJZZRBRZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione (CID 90901042) is 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione is CC(C)(C)c1ccc(Cn2c(O)cc(=O)n(-c3cccs3)c2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione?
The InChIKey is YGWGUVFJZZRBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-19(2,3)14-8-6-13(7-9-14)12-20-15(22)11-16(23)21(18(20)24)17-5-4-10-25-17/h4-11,22H,12H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione?
1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione has a molecular weight of 356.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-6-hydroxy-3-thiophen-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 90901042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).