6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione

C14H12N4O3 — CID 144763345

IUPAC6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1ccon1
InChIInChI=1S/C14H12N4O3/c19-13-8-11(15-9-10-4-2-1-3-5-10)16-14(20)18(13)12-6-7-21-17-12/h1-8,15H,9H2,(H,16,20)
InChIKeySOPHGAJDDMEXLP-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.13
Rot. Bonds4

About 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione

6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 144763345) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID144763345
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1ccon1
InChIInChI=1S/C14H12N4O3/c19-13-8-11(15-9-10-4-2-1-3-5-10)16-14(20)18(13)12-6-7-21-17-12/h1-8,15H,9H2,(H,16,20)
InChIKeySOPHGAJDDMEXLP-UHFFFAOYSA-N
XLogP1.13
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione (CID 144763345) is 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione is O=c1cc(NCc2ccccc2)[nH]c(=O)n1-c1ccon1.
What is the InChIKey of 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SOPHGAJDDMEXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-13-8-11(15-9-10-4-2-1-3-5-10)16-14(20)18(13)12-6-7-21-17-12/h1-8,15H,9H2,(H,16,20).
What are the key properties of 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione?
6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 284.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).