3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one

C11H15N3O2 — CID 123460865

IUPAC3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)ncn1C1CC1
InChIInChI=1S/C11H15N3O2/c15-11-7-10(13-3-5-16-6-4-13)12-8-14(11)9-1-2-9/h7-9H,1-6H2
InChIKeyDJXQJCJSOLVRTC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.41
Rot. Bonds2

About 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one

3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one (PubChem CID 123460865) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one
PubChem CID123460865
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)ncn1C1CC1
InChIInChI=1S/C11H15N3O2/c15-11-7-10(13-3-5-16-6-4-13)12-8-14(11)9-1-2-9/h7-9H,1-6H2
InChIKeyDJXQJCJSOLVRTC-UHFFFAOYSA-N
XLogP0.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one (CID 123460865) is 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one is O=c1cc(N2CCOCC2)ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one?
The InChIKey is DJXQJCJSOLVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11-7-10(13-3-5-16-6-4-13)12-8-14(11)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one?
3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 123460865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).