4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C11H17N3O2 — CID 63555351

IUPAC4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-4-7-10(15)13-9(14-11(7)16)8-5-3-6-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyHUXNRBZNIBKYIF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.85
Rot. Bonds3

About 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 63555351) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID63555351
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-4-7-10(15)13-9(14-11(7)16)8-5-3-6-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyHUXNRBZNIBKYIF-UHFFFAOYSA-N
XLogP0.85
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 63555351) is 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCCN2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is HUXNRBZNIBKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-4-7-10(15)13-9(14-11(7)16)8-5-3-6-12-8/h8,12H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).