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

C11H17N3O2 — CID 136900937

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)11-12-9(5-10(16)13-11)14-4-3-8(15)6-14/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,16)/t8-/m1/s1
InChIKeyFJTOCCQKVQEBBY-MRVPVSSYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds2

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

4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136900937) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136900937
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7(2)11-12-9(5-10(16)13-11)14-4-3-8(15)6-14/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,16)/t8-/m1/s1
InChIKeyFJTOCCQKVQEBBY-MRVPVSSYSA-N
XLogP0.46
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136900937) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CC[C@@H](O)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FJTOCCQKVQEBBY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)11-12-9(5-10(16)13-11)14-4-3-8(15)6-14/h5,7-8,15H,3-4,6H2,1-2H3,(H,12,13,16)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136900937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).