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

C11H16N2O2 — CID 103241765

IUPAC4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-8-12-10(14)6-11(13-8)15-7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyULJCOWOJHGBTGF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.65
Rot. Bonds3

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

4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241765) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103241765
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-8-12-10(14)6-11(13-8)15-7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyULJCOWOJHGBTGF-UHFFFAOYSA-N
XLogP1.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
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-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
2-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475
4-hexoxy-2-methyl-1H-pyrimidin-6-one
CID 103240494
2-ethyl-4-hexoxy-1H-pyrimidin-6-one
CID 103240496
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one (CID 103241765) is 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ULJCOWOJHGBTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-12-10(14)6-11(13-8)15-7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).