1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide

C9H14N6O — CID 80932532

IUPAC1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNNc1cc(N2CCCC2C(N)=O)ncn1
InChIInChI=1S/C9H14N6O/c10-9(16)6-2-1-3-15(6)8-4-7(14-11)12-5-13-8/h4-6H,1-3,11H2,(H2,10,16)(H,12,13,14)
InChIKeyUNBJKHRFJVEXNW-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.78
Rot. Bonds3

About 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 80932532) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID80932532
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNNc1cc(N2CCCC2C(N)=O)ncn1
InChIInChI=1S/C9H14N6O/c10-9(16)6-2-1-3-15(6)8-4-7(14-11)12-5-13-8/h4-6H,1-3,11H2,(H2,10,16)(H,12,13,14)
InChIKeyUNBJKHRFJVEXNW-UHFFFAOYSA-N
XLogP-0.78
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.78
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

1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80946575
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
(2S)-1-[6-(2-hydroxypropylamino)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 122059757
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730
5-amino-2-(2-carbamoylpiperidin-1-yl)pyridine-4-carboxamide
CID 114090230

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 80932532) is 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide is NNc1cc(N2CCCC2C(N)=O)ncn1.
What is the InChIKey of 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is UNBJKHRFJVEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c10-9(16)6-2-1-3-15(6)8-4-7(14-11)12-5-13-8/h4-6H,1-3,11H2,(H2,10,16)(H,12,13,14).
What are the key properties of 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).