2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H14N2O2 — CID 107925351

IUPAC2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CC2(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-5-8(13)11-7(12-9(5)14)6-4-10(6,2)3/h6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeySDVUJRUWGUQPOJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.30
Rot. Bonds1

About 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 107925351) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID107925351
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CC2(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-5-8(13)11-7(12-9(5)14)6-4-10(6,2)3/h6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeySDVUJRUWGUQPOJ-UHFFFAOYSA-N
XLogP1.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 107925351) is 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CC2(C)C)[nH]c1=O.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SDVUJRUWGUQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5-8(13)11-7(12-9(5)14)6-4-10(6,2)3/h6H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 107925351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).