4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one

C11H16N2O2 — CID 136730191

IUPAC4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7(15-2)5-10-12-9(8-3-4-8)6-11(14)13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCEXJMZBNQOQBMJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds4

About 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136730191) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136730191
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7(15-2)5-10-12-9(8-3-4-8)6-11(14)13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyCEXJMZBNQOQBMJ-UHFFFAOYSA-N
XLogP1.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one (CID 136730191) is 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one is COC(C)Cc1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is CEXJMZBNQOQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(15-2)5-10-12-9(8-3-4-8)6-11(14)13-10/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).