5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one

C10H16N2O3 — CID 103242100

IUPAC5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCC(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-4-5-7(2)15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGERLPPMAASYPCB-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds5

About 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one

5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 103242100) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one
PubChem CID103242100
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one
SMILESCCCC(C)Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N2O3/c1-4-5-7(2)15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGERLPPMAASYPCB-UHFFFAOYSA-N
XLogP1.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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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-pentan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one (CID 103242100) is 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one is CCCC(C)Oc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is GERLPPMAASYPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-7(2)15-10-8(14-3)9(13)11-6-12-10/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one?
5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103242100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).