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

C12H18N2O2 — CID 103241766

IUPAC4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-10-13-11(15)7-12(14-10)16-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyHUSQITUQEKTFIF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds4

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

4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103241766) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID103241766
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-10-13-11(15)7-12(14-10)16-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyHUSQITUQEKTFIF-UHFFFAOYSA-N
XLogP1.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one (CID 103241766) is 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is HUSQITUQEKTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10-13-11(15)7-12(14-10)16-8-9-5-3-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,14,15).
What are the key properties of 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).