2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C14H21N5O — CID 113399597

IUPAC2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1cc(N2CC3CCC(O)C3C2)nc(C2CC2)n1
InChIInChI=1S/C14H21N5O/c15-18-12-5-13(17-14(16-12)8-1-2-8)19-6-9-3-4-11(20)10(9)7-19/h5,8-11,20H,1-4,6-7,15H2,(H,16,17,18)
InChIKeyLQTLGOCJOUTZMD-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.85
Rot. Bonds3

About 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 113399597) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID113399597
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNNc1cc(N2CC3CCC(O)C3C2)nc(C2CC2)n1
InChIInChI=1S/C14H21N5O/c15-18-12-5-13(17-14(16-12)8-1-2-8)19-6-9-3-4-11(20)10(9)7-19/h5,8-11,20H,1-4,6-7,15H2,(H,16,17,18)
InChIKeyLQTLGOCJOUTZMD-UHFFFAOYSA-N
XLogP0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.85
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-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102721077
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)piperidin-4-ol
CID 80968717
(2-cyclopropyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 80968466
2-(2,6-diaminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399583
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-cyclopropyl-6-(4-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80969166
[2-cyclopropyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 80968558
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
2-(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114073547
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 113399597) is 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is NNc1cc(N2CC3CCC(O)C3C2)nc(C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is LQTLGOCJOUTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-18-12-5-13(17-14(16-12)8-1-2-8)19-6-9-3-4-11(20)10(9)7-19/h5,8-11,20H,1-4,6-7,15H2,(H,16,17,18).
What are the key properties of 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 275.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 113399597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).