1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione

C20H26N2O3 — CID 15957703

IUPAC1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1
InChIInChI=1S/C20H26N2O3/c1-12(2)17-18(23)21-20(24)22(11-15-6-5-7-15)19(17)25-16-9-13(3)8-14(4)10-16/h8-10,12,15H,5-7,11H2,1-4H3,(H,21,23,24)
InChIKeyTWZLGHODZAWAGP-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.87
Rot. Bonds5

About 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione

1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 15957703) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID15957703
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1
InChIInChI=1S/C20H26N2O3/c1-12(2)17-18(23)21-20(24)22(11-15-6-5-7-15)19(17)25-16-9-13(3)8-14(4)10-16/h8-10,12,15H,5-7,11H2,1-4H3,(H,21,23,24)
InChIKeyTWZLGHODZAWAGP-UHFFFAOYSA-N
XLogP3.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione (CID 15957703) is 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCC2)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is TWZLGHODZAWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12(2)17-18(23)21-20(24)22(11-15-6-5-7-15)19(17)25-16-9-13(3)8-14(4)10-16/h8-10,12,15H,5-7,11H2,1-4H3,(H,21,23,24).
What are the key properties of 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione?
1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-6-(3,5-dimethylphenoxy)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 15957703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).