3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one

C11H16N2O2 — CID 63905588

IUPAC3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CC2)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-7-5-11(15)13(8(2)12-7)6-10(14)9-3-4-9/h5,9-10,14H,3-4,6H2,1-2H3
InChIKeyWNIQSMRYHZXJEW-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds3

About 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one

3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 63905588) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID63905588
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CC2)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-7-5-11(15)13(8(2)12-7)6-10(14)9-3-4-9/h5,9-10,14H,3-4,6H2,1-2H3
InChIKeyWNIQSMRYHZXJEW-UHFFFAOYSA-N
XLogP0.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one (CID 63905588) is 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(O)C2CC2)c(C)n1.
What is the InChIKey of 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is WNIQSMRYHZXJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-11(15)13(8(2)12-7)6-10(14)9-3-4-9/h5,9-10,14H,3-4,6H2,1-2H3.
What are the key properties of 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63905588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).