4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one

C10H14N2O3 — CID 103240525

IUPAC4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-14-8-9(13)11-6-12-10(8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYHUFCPFRJZVEGJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds3

About 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one

4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103240525) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103240525
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-14-8-9(13)11-6-12-10(8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYHUFCPFRJZVEGJ-UHFFFAOYSA-N
XLogP1.10
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-methoxy-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240414
4-heptoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240423
5-methoxy-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240453
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
5-methoxy-4-octoxy-1H-pyrimidin-6-one
CID 103240505
4-cyclohexyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240534
4-ethoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240575
4-(2-ethoxyethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103240585

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one (CID 103240525) is 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CCCC2)nc[nH]c1=O.
What is the InChIKey of 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YHUFCPFRJZVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-8-9(13)11-6-12-10(8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one?
4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).