2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C10H14N2O2 — CID 63611774

IUPAC2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-5(2)7-9(13)11-8(6-3-4-6)12-10(7)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRSLJQFBTFHHCFT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.48
Rot. Bonds2

About 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63611774) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63611774
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-5(2)7-9(13)11-8(6-3-4-6)12-10(7)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyRSLJQFBTFHHCFT-UHFFFAOYSA-N
XLogP1.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 63611774) is 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RSLJQFBTFHHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-5(2)7-9(13)11-8(6-3-4-6)12-10(7)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).