1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide

C12H20N6O — CID 80946575

IUPAC1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nc(NN)cc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H20N6O/c1-2-4-9-15-10(17-14)7-11(16-9)18-6-3-5-8(18)12(13)19/h7-8H,2-6,14H2,1H3,(H2,13,19)(H,15,16,17)
InChIKeyMZHQEURDCOJEKE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.17
Rot. Bonds5

About 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 80946575) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID80946575
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCc1nc(NN)cc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C12H20N6O/c1-2-4-9-15-10(17-14)7-11(16-9)18-6-3-5-8(18)12(13)19/h7-8H,2-6,14H2,1H3,(H2,13,19)(H,15,16,17)
InChIKeyMZHQEURDCOJEKE-UHFFFAOYSA-N
XLogP0.17
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.17
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-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
1-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80964808
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198752
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80932532
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
[6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947151
1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765391
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80946979

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 80946575) is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide is CCCc1nc(NN)cc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is MZHQEURDCOJEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-2-4-9-15-10(17-14)7-11(16-9)18-6-3-5-8(18)12(13)19/h7-8H,2-6,14H2,1H3,(H2,13,19)(H,15,16,17).
What are the key properties of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80946575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).