1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol

C12H19N5O — CID 80968717

IUPAC1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
SMILESNNc1cc(N2CCC(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c13-16-10-7-11(15-12(14-10)8-1-2-8)17-5-3-9(18)4-6-17/h7-9,18H,1-6,13H2,(H,14,15,16)
InChIKeyPLHZYRLHQBDCMB-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol

1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 80968717) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
PubChem CID80968717
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
SMILESNNc1cc(N2CCC(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C12H19N5O/c13-16-10-7-11(15-12(14-10)8-1-2-8)17-5-3-9(18)4-6-17/h7-9,18H,1-6,13H2,(H,14,15,16)
InChIKeyPLHZYRLHQBDCMB-UHFFFAOYSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
[2-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399597
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
[2-cyclopropyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80968558
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
2-cyclopropyl-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 166311017
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol (CID 80968717) is 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol is NNc1cc(N2CCC(O)CC2)nc(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is PLHZYRLHQBDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-16-10-7-11(15-12(14-10)8-1-2-8)17-5-3-9(18)4-6-17/h7-9,18H,1-6,13H2,(H,14,15,16).
What are the key properties of 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol?
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 249.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 80968717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).