1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C13H19N3O3 — CID 62468256

IUPAC1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O3/c17-9-2-5-11-4-1-8-16(11)12(18)10-15-7-3-6-14-13(15)19/h3,6-7,11,17H,1-2,4-5,8-10H2
InChIKeyFJKXCZKOPXSOBH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.01
Rot. Bonds5

About 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 62468256) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID62468256
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCC1CCCO
InChIInChI=1S/C13H19N3O3/c17-9-2-5-11-4-1-8-16(11)12(18)10-15-7-3-6-14-13(15)19/h3,6-7,11,17H,1-2,4-5,8-10H2
InChIKeyFJKXCZKOPXSOBH-UHFFFAOYSA-N
XLogP0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2H-pyrimidin-1-yl)ethanone;hydrochloride
CID 142696568
1-[2-[2-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 43430309
1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 61410749
1-[2-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyrimidin-2-one
CID 63763968
1-[2-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 66051607
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 66261106
1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 79029149
1-[2-[3-(2-Hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 115775087
1-[2-[2-(Hydroxymethyl)azepan-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 116636283
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2H-pyrimidin-1-yl)ethanone
CID 142696569

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 62468256) is 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCCC1CCCO.
What is the InChIKey of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is FJKXCZKOPXSOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-9-2-5-11-4-1-8-16(11)12(18)10-15-7-3-6-14-13(15)19/h3,6-7,11,17H,1-2,4-5,8-10H2.
What are the key properties of 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 62468256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).