2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

C12H17N3O2 — CID 136952730

IUPAC2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC[C@H](O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8-9,16H,1-5,7H2,(H,13,14,17)/t9-/m0/s1
InChIKeyXJLKZZIULUZXPB-VIFPVBQESA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds2

About 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136952730) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136952730
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC[C@H](O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8-9,16H,1-5,7H2,(H,13,14,17)/t9-/m0/s1
InChIKeyXJLKZZIULUZXPB-VIFPVBQESA-N
XLogP0.61
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one (CID 136952730) is 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCC[C@H](O)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XJLKZZIULUZXPB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-2-1-5-15(7-9)10-6-11(17)14-12(13-10)8-3-4-8/h6,8-9,16H,1-5,7H2,(H,13,14,17)/t9-/m0/s1.
What are the key properties of 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136952730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).