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

C11H15N3O2 — CID 136900941

IUPAC2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC[C@H](O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-8-3-4-14(6-8)9-5-10(16)13-11(12-9)7-1-2-7/h5,7-8,15H,1-4,6H2,(H,12,13,16)/t8-/m0/s1
InChIKeyGJXPMDCKMIFWHH-QMMMGPOBSA-N
MW221.26 g/mol
LogP0.22
Rot. Bonds2

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

2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900941) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900941
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC[C@H](O)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-8-3-4-14(6-8)9-5-10(16)13-11(12-9)7-1-2-7/h5,7-8,15H,1-4,6H2,(H,12,13,16)/t8-/m0/s1
InChIKeyGJXPMDCKMIFWHH-QMMMGPOBSA-N
XLogP0.22
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.22
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-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900941) is 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is O=c1cc(N2CC[C@H](O)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is GJXPMDCKMIFWHH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-8-3-4-14(6-8)9-5-10(16)13-11(12-9)7-1-2-7/h5,7-8,15H,1-4,6H2,(H,12,13,16)/t8-/m0/s1.
What are the key properties of 2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.22, 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-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).