6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione

C9H9N3O4 — CID 106377411

IUPAC6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cnc(Cn2c(O)cc(=O)[nH]c2=O)o1
InChIInChI=1S/C9H9N3O4/c1-5-3-10-7(16-5)4-12-8(14)2-6(13)11-9(12)15/h2-3,14H,4H2,1H3,(H,11,13,15)
InChIKeyOHNIOQDNLDHZIJ-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.41
Rot. Bonds2

About 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione

6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 106377411) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID106377411
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cnc(Cn2c(O)cc(=O)[nH]c2=O)o1
InChIInChI=1S/C9H9N3O4/c1-5-3-10-7(16-5)4-12-8(14)2-6(13)11-9(12)15/h2-3,14H,4H2,1H3,(H,11,13,15)
InChIKeyOHNIOQDNLDHZIJ-UHFFFAOYSA-N
XLogP-0.41
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione (CID 106377411) is 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione is Cc1cnc(Cn2c(O)cc(=O)[nH]c2=O)o1.
What is the InChIKey of 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is OHNIOQDNLDHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-5-3-10-7(16-5)4-12-8(14)2-6(13)11-9(12)15/h2-3,14H,4H2,1H3,(H,11,13,15).
What are the key properties of 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione?
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 223.19 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106377411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).