5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one

C16H26N2O2 — CID 154951680

IUPAC5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1OC1CCCCCCCCCC1
InChIInChI=1S/C16H26N2O2/c1-13-15(16(19)18-12-17-13)20-14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,17,18,19)
InChIKeyODFZMJMPVSDDOS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.74
Rot. Bonds2

About 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one

5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 154951680) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one
PubChem CID154951680
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1OC1CCCCCCCCCC1
InChIInChI=1S/C16H26N2O2/c1-13-15(16(19)18-12-17-13)20-14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,17,18,19)
InChIKeyODFZMJMPVSDDOS-UHFFFAOYSA-N
XLogP3.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one (CID 154951680) is 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one is Cc1nc[nH]c(=O)c1OC1CCCCCCCCCC1.
What is the InChIKey of 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ODFZMJMPVSDDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-15(16(19)18-12-17-13)20-14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one?
5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloundecyloxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154951680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).