(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone

C9H11N3O2 — CID 102922153

IUPAC(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC(O)C1
InChIInChI=1S/C9H11N3O2/c13-8-1-2-12(5-8)9(14)7-3-10-6-11-4-7/h3-4,6,8,13H,1-2,5H2
InChIKeyAKUCRUAWTNTTBX-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.32
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone

(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone (PubChem CID 102922153) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
PubChem CID102922153
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC(O)C1
InChIInChI=1S/C9H11N3O2/c13-8-1-2-12(5-8)9(14)7-3-10-6-11-4-7/h3-4,6,8,13H,1-2,5H2
InChIKeyAKUCRUAWTNTTBX-UHFFFAOYSA-N
XLogP-0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone (CID 102922153) is (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone?
The InChIKey is AKUCRUAWTNTTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-1-2-12(5-8)9(14)7-3-10-6-11-4-7/h3-4,6,8,13H,1-2,5H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone?
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone has a molecular weight of 193.21 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).