2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586319

IUPAC2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8-3-4-12-6-8/h5,7-8,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyCBKDLJAFFZNQGE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

About 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one

2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (PubChem CID 114586319) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
PubChem CID114586319
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8-3-4-12-6-8/h5,7-8,12H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyCBKDLJAFFZNQGE-UHFFFAOYSA-N
XLogP0.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one (CID 114586319) is 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
The InChIKey is CBKDLJAFFZNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)11-13-9(15)5-10(14-11)16-8-3-4-12-6-8/h5,7-8,12H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one?
2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).