4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

C13H18N2O2 — CID 103241761

IUPAC4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-7-12(15-13(14-11)10-5-6-10)17-8-9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,15,16)
InChIKeyOFHLBMPFAOPTDG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.22
Rot. Bonds4

About 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one

4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 103241761) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID103241761
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H18N2O2/c16-11-7-12(15-13(14-11)10-5-6-10)17-8-9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,15,16)
InChIKeyOFHLBMPFAOPTDG-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
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
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
4-cyclopentyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240523
4-cyclopentyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240529

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one (CID 103241761) is 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(OCC2CCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is OFHLBMPFAOPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-7-12(15-13(14-11)10-5-6-10)17-8-9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,15,16).
What are the key properties of 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).