2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one

C10H14N2O2 — CID 12945289

IUPAC2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-6(2)14-9-5-8(13)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGEGYDILEPHXNIK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.43
Rot. Bonds3

About 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one

2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 12945289) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID12945289
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C10H14N2O2/c1-6(2)14-9-5-8(13)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGEGYDILEPHXNIK-UHFFFAOYSA-N
XLogP1.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one (CID 12945289) is 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one is CC(C)Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is GEGYDILEPHXNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)14-9-5-8(13)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12945289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).