3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione

C16H18N2O3 — CID 167439165

IUPAC3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccccc2)c(=O)n1CC1CCOCC1
InChIInChI=1S/C16H18N2O3/c19-15-6-9-17(14-4-2-1-3-5-14)16(20)18(15)12-13-7-10-21-11-8-13/h1-6,9,13H,7-8,10-12H2
InChIKeyHZVZNOCPMKRNRT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.43
Rot. Bonds3

About 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione

3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione (PubChem CID 167439165) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
PubChem CID167439165
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccccc2)c(=O)n1CC1CCOCC1
InChIInChI=1S/C16H18N2O3/c19-15-6-9-17(14-4-2-1-3-5-14)16(20)18(15)12-13-7-10-21-11-8-13/h1-6,9,13H,7-8,10-12H2
InChIKeyHZVZNOCPMKRNRT-UHFFFAOYSA-N
XLogP1.43
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione (CID 167439165) is 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione is O=c1ccn(-c2ccccc2)c(=O)n1CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The InChIKey is HZVZNOCPMKRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-6-9-17(14-4-2-1-3-5-14)16(20)18(15)12-13-7-10-21-11-8-13/h1-6,9,13H,7-8,10-12H2.
What are the key properties of 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 167439165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).