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

C10H16N2O3 — CID 103240845

IUPAC5-methoxy-4-pentoxy-1H-pyrimidin-6-one
SMILESCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-15-10-8(14-2)9(13)11-7-12-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVDKKTHSVADLRRT-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds6

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

5-methoxy-4-pentoxy-1H-pyrimidin-6-one (PubChem CID 103240845) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-4-pentoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-pentoxy-1H-pyrimidin-6-one
PubChem CID103240845
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-methoxy-4-pentoxy-1H-pyrimidin-6-one
SMILESCCCCCOc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-15-10-8(14-2)9(13)11-7-12-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVDKKTHSVADLRRT-UHFFFAOYSA-N
XLogP1.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-4-pentoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904
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-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-butoxy-4-hydroxy-1H-pyrimidin-6-one
CID 69937300
5-ethoxy-4-hydroxy-1H-pyrimidin-6-one
CID 130718959
ethane;5-propoxy-1H-pyrimidin-6-one
CID 172330002
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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-pentoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-pentoxy-1H-pyrimidin-6-one (CID 103240845) is 5-methoxy-4-pentoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-pentoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-pentoxy-1H-pyrimidin-6-one is CCCCCOc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-pentoxy-1H-pyrimidin-6-one?
The InChIKey is VDKKTHSVADLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-5-6-15-10-8(14-2)9(13)11-7-12-10/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-pentoxy-1H-pyrimidin-6-one?
5-methoxy-4-pentoxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-pentoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).