1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C10H14N2O3 — CID 112599995

IUPAC1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C2CC2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-5-7(13)11-9(15)12(8(5)14)6-4-10(6,2)3/h6,14H,4H2,1-3H3,(H,11,13,15)
InChIKeyXSARFAHOJQPAIV-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.52
Rot. Bonds1

About 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112599995) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112599995
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C2CC2(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-5-7(13)11-9(15)12(8(5)14)6-4-10(6,2)3/h6,14H,4H2,1-3H3,(H,11,13,15)
InChIKeyXSARFAHOJQPAIV-UHFFFAOYSA-N
XLogP0.52
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112599995) is 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(C2CC2(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is XSARFAHOJQPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-7(13)11-9(15)12(8(5)14)6-4-10(6,2)3/h6,14H,4H2,1-3H3,(H,11,13,15).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112599995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).