4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one

C12H16N2O2 — CID 103240523

IUPAC4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H16N2O2/c15-10-7-11(16-9-3-1-2-4-9)14-12(13-10)8-5-6-8/h7-9H,1-6H2,(H,13,14,15)
InChIKeyRKTHLWHKLCRBBP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.97
Rot. Bonds3

About 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one

4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103240523) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103240523
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H16N2O2/c15-10-7-11(16-9-3-1-2-4-9)14-12(13-10)8-5-6-8/h7-9H,1-6H2,(H,13,14,15)
InChIKeyRKTHLWHKLCRBBP-UHFFFAOYSA-N
XLogP1.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
4-Hydroxy-2-cyclopropyl-6-(tert-butoxy)pyrimidine
CID 20340377
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 103240523) is 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(OC2CCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is RKTHLWHKLCRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-10-7-11(16-9-3-1-2-4-9)14-12(13-10)8-5-6-8/h7-9H,1-6H2,(H,13,14,15).
What are the key properties of 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 220.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).