3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C14H23N5O — CID 80964581

IUPAC3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNNc1cc(N2CCCC2CCCO)nc(C2CC2)n1
InChIInChI=1S/C14H23N5O/c15-18-12-9-13(17-14(16-12)10-5-6-10)19-7-1-3-11(19)4-2-8-20/h9-11,20H,1-8,15H2,(H,16,17,18)
InChIKeyMRUBDKRKONCENN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.38
Rot. Bonds6

About 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80964581) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80964581
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESNNc1cc(N2CCCC2CCCO)nc(C2CC2)n1
InChIInChI=1S/C14H23N5O/c15-18-12-9-13(17-14(16-12)10-5-6-10)19-7-1-3-11(19)4-2-8-20/h9-11,20H,1-8,15H2,(H,16,17,18)
InChIKeyMRUBDKRKONCENN-UHFFFAOYSA-N
XLogP1.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.38
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

3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
[2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80969506
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096
2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076327
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 80964581) is 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is NNc1cc(N2CCCC2CCCO)nc(C2CC2)n1.
What is the InChIKey of 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is MRUBDKRKONCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-18-12-9-13(17-14(16-12)10-5-6-10)19-7-1-3-11(19)4-2-8-20/h9-11,20H,1-8,15H2,(H,16,17,18).
What are the key properties of 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).