2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136900939

IUPAC2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-11-9(5-10(15)12-8)13-4-3-7(14)6-13/h5,7,14H,2-4,6H2,1H3,(H,11,12,15)/t7-/m1/s1
InChIKeyOPDOKJBDOIGJRW-SSDOTTSWSA-N
MW209.25 g/mol
LogP-0.10
Rot. Bonds2

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

2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900939) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136900939
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCCc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-2-8-11-9(5-10(15)12-8)13-4-3-7(14)6-13/h5,7,14H,2-4,6H2,1H3,(H,11,12,15)/t7-/m1/s1
InChIKeyOPDOKJBDOIGJRW-SSDOTTSWSA-N
XLogP-0.10
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136900939) is 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CCc1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OPDOKJBDOIGJRW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-8-11-9(5-10(15)12-8)13-4-3-7(14)6-13/h5,7,14H,2-4,6H2,1H3,(H,11,12,15)/t7-/m1/s1.
What are the key properties of 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).