5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

C20H19ClN2O4 — CID 127047090

IUPAC5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(COCc2ccccc2)c1Cl
InChIInChI=1S/C20H19ClN2O4/c21-18-17(13-26-11-15-7-3-1-4-8-15)23(20(25)22-19(18)24)14-27-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,24,25)
InChIKeyWOKFCGATHAIAHY-UHFFFAOYSA-N
MW386.83 g/mol
LogP3.08
Rot. Bonds8

About 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione

5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 127047090) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.83 g/mol. Its IUPAC name is 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID127047090
Molecular FormulaC20H19ClN2O4
Molecular Weight386.83 g/mol
Exact Mass386.10
IUPAC Name5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COCc2ccccc2)c(COCc2ccccc2)c1Cl
InChIInChI=1S/C20H19ClN2O4/c21-18-17(13-26-11-15-7-3-1-4-8-15)23(20(25)22-19(18)24)14-27-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,24,25)
InChIKeyWOKFCGATHAIAHY-UHFFFAOYSA-N
XLogP3.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 127047090) is 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(COCc2ccccc2)c(COCc2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is WOKFCGATHAIAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-18-17(13-26-11-15-7-3-1-4-8-15)23(20(25)22-19(18)24)14-27-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,24,25).
What are the key properties of 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione?
5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 386.83 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,6-bis(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 127047090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).