[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine

C12H21N5 — CID 80928758

IUPAC[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCC1(CC)CCN(c2ccnc(NN)n2)C1
InChIInChI=1S/C12H21N5/c1-3-12(4-2)6-8-17(9-12)10-5-7-14-11(15-10)16-13/h5,7H,3-4,6,8-9,13H2,1-2H3,(H,14,15,16)
InChIKeyCUFVDMDZILMQEE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds4

About [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine

[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80928758) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80928758
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCC1(CC)CCN(c2ccnc(NN)n2)C1
InChIInChI=1S/C12H21N5/c1-3-12(4-2)6-8-17(9-12)10-5-7-14-11(15-10)16-13/h5,7H,3-4,6,8-9,13H2,1-2H3,(H,14,15,16)
InChIKeyCUFVDMDZILMQEE-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
[4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80909583
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775
4-(2-hydrazinylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887980
[4-(4-cyclopropylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80895559
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
1-[4-(2-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80928222
[6-(3,3-diethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968492
[4-(3,4-dimethoxypyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103542149
1-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80904477

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine (CID 80928758) is [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine is CCC1(CC)CCN(c2ccnc(NN)n2)C1.
What is the InChIKey of [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is CUFVDMDZILMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-12(4-2)6-8-17(9-12)10-5-7-14-11(15-10)16-13/h5,7H,3-4,6,8-9,13H2,1-2H3,(H,14,15,16).
What are the key properties of [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine?
[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 235.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80928758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).