1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

C16H19N5O — CID 56897191

IUPAC1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(N3CC(c4cccnc4)C3)n2)C1
InChIInChI=1S/C16H19N5O/c22-14-4-7-20(11-14)15-3-6-18-16(19-15)21-9-13(10-21)12-2-1-5-17-8-12/h1-3,5-6,8,13-14,22H,4,7,9-11H2
InChIKeyHYYMHLVBFAEYLZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.05
Rot. Bonds3

About 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 56897191) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID56897191
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccnc(N3CC(c4cccnc4)C3)n2)C1
InChIInChI=1S/C16H19N5O/c22-14-4-7-20(11-14)15-3-6-18-16(19-15)21-9-13(10-21)12-2-1-5-17-8-12/h1-3,5-6,8,13-14,22H,4,7,9-11H2
InChIKeyHYYMHLVBFAEYLZ-UHFFFAOYSA-N
XLogP1.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
CID 56887887
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
1-[2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56893416
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 56883380
(3S,4R)-1-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 72850310
4-ethyl-5-[1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 95209992
4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95128012
2-[4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 95124915
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 56897191) is 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2ccnc(N3CC(c4cccnc4)C3)n2)C1.
What is the InChIKey of 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is HYYMHLVBFAEYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-14-4-7-20(11-14)15-3-6-18-16(19-15)21-9-13(10-21)12-2-1-5-17-8-12/h1-3,5-6,8,13-14,22H,4,7,9-11H2.
What are the key properties of 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 297.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 56897191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).