1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione

C21H22N2O3 — CID 5306011

IUPAC1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)ccn(CCOc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-16-3-7-18(8-4-16)15-23-20(24)11-12-22(21(23)25)13-14-26-19-9-5-17(2)6-10-19/h3-12H,13-15H2,1-2H3
InChIKeyPCVRFHSIIZLVCI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione

1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 5306011) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID5306011
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)ccn(CCOc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-16-3-7-18(8-4-16)15-23-20(24)11-12-22(21(23)25)13-14-26-19-9-5-17(2)6-10-19/h3-12H,13-15H2,1-2H3
InChIKeyPCVRFHSIIZLVCI-UHFFFAOYSA-N
XLogP2.75
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione (CID 5306011) is 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)ccn(CCOc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is PCVRFHSIIZLVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-16-3-7-18(8-4-16)15-23-20(24)11-12-22(21(23)25)13-14-26-19-9-5-17(2)6-10-19/h3-12H,13-15H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione?
1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).