4-pentoxy-1H-pyrimidin-6-one

C9H14N2O2 — CID 103240848

IUPAC4-pentoxy-1H-pyrimidin-6-one
SMILESCCCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyKNRQSQVBMSPOBC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.34
Rot. Bonds5

About 4-pentoxy-1H-pyrimidin-6-one

4-pentoxy-1H-pyrimidin-6-one (PubChem CID 103240848) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-pentoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pentoxy-1H-pyrimidin-6-one
PubChem CID103240848
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-pentoxy-1H-pyrimidin-6-one
SMILESCCCCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-13-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyKNRQSQVBMSPOBC-UHFFFAOYSA-N
XLogP1.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-4-1H-pyrimidinone
CID 3770663
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrimidin-6-one
CID 146231679
4-(2,2,3,4,4,4-hexafluorobutoxy)-1H-pyrimidin-6-one
CID 146231682
4-(2,2,3,3-tetrafluorobutoxy)-1H-pyrimidin-6-one
CID 157794543
4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918
4-octoxy-1H-pyrimidin-6-one
CID 20559619
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-(2-methylprop-2-enoxy)-1H-pyrimidin-6-one
CID 134170330

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-pentoxy-1H-pyrimidin-6-one (CID 103240848) is 4-pentoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pentoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-pentoxy-1H-pyrimidin-6-one is CCCCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-pentoxy-1H-pyrimidin-6-one?
The InChIKey is KNRQSQVBMSPOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-13-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-pentoxy-1H-pyrimidin-6-one?
4-pentoxy-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).