4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one

C13H20N2O2 — CID 114248368

IUPAC4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-10-14-12(16)8-13(15-10)17-9-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyOZDUXSKFIDBJEA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds3

About 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one

4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 114248368) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID114248368
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-10-14-12(16)8-13(15-10)17-9-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyOZDUXSKFIDBJEA-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
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-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
2-ethyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240475
4-hexoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240500
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one (CID 114248368) is 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OZDUXSKFIDBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-14-12(16)8-13(15-10)17-9-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,14,15,16).
What are the key properties of 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114248368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).