4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde

C10H12ClN3O2 — CID 66336646

IUPAC4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCCC(O)C1
InChIInChI=1S/C10H12ClN3O2/c11-9-8(5-15)10(13-6-12-9)14-3-1-2-7(16)4-14/h5-7,16H,1-4H2
InChIKeyXHMAHOXJTUPNRZ-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.90
Rot. Bonds2

About 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde

4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde (PubChem CID 66336646) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde
PubChem CID66336646
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCCC(O)C1
InChIInChI=1S/C10H12ClN3O2/c11-9-8(5-15)10(13-6-12-9)14-3-1-2-7(16)4-14/h5-7,16H,1-4H2
InChIKeyXHMAHOXJTUPNRZ-UHFFFAOYSA-N
XLogP0.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CID 130995551
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
CID 66336044
4-(4-acetyl-1,4-diazepan-1-yl)-6-chloropyrimidine-5-carbaldehyde
CID 66368769
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 66366920
4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 104959220
4-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbaldehyde
CID 66367551
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
tert-butyl 4-(6-chloro-5-formylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 104933626
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
CID 114844067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde (CID 66336646) is 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1N1CCCC(O)C1.
What is the InChIKey of 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde?
The InChIKey is XHMAHOXJTUPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-8(5-15)10(13-6-12-9)14-3-1-2-7(16)4-14/h5-7,16H,1-4H2.
What are the key properties of 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde?
4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde has a molecular weight of 241.68 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-hydroxypiperidin-1-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66336646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).