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

C11H17N3O2 — CID 63612460

IUPAC4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7(2)8-9(15)12-11(13-10(8)16)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyFTDSTXXCXWJDTK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.20
Rot. Bonds2

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

4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 63612460) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID63612460
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-7(2)8-9(15)12-11(13-10(8)16)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeyFTDSTXXCXWJDTK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydroxy-2-piperidino-4(3H)-pyrimidinone
CID 1859878
5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 153435006
2-(azepan-1-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217406
4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63553551
4-hydroxy-2-piperazin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63555883
2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611438
4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 63611769
2-(diethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612123
4-hydroxy-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612292
2-(dimethylamino)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612461
4-hydroxy-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612628
4-hydroxy-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 63613107

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 63612460) is 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is FTDSTXXCXWJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)8-9(15)12-11(13-10(8)16)14-5-3-4-6-14/h7H,3-6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).