4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136979807

IUPAC4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(15)8-3-4-14(5-8)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyAPFHPLUJCGNOFM-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.01
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979807) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979807
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C(C)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(15)8-3-4-14(5-8)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyAPFHPLUJCGNOFM-UHFFFAOYSA-N
XLogP-0.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979807) is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C(C)O)C2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is APFHPLUJCGNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)8-3-4-14(5-8)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).