N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H22N6 — CID 80944201

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1ncnc(NN)c1C
InChIInChI=1S/C12H22N6/c1-3-18-6-4-5-10(18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOCFMKOFIFNSWEA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80944201) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80944201
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCCN1CCCC1CNc1ncnc(NN)c1C
InChIInChI=1S/C12H22N6/c1-3-18-6-4-5-10(18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOCFMKOFIFNSWEA-UHFFFAOYSA-N
XLogP0.97
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.97
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

4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
N-[(4-ethylcyclohexyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80902835
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80944375
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 114138405
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026122
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80944201) is N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine is CCN1CCCC1CNc1ncnc(NN)c1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is OCFMKOFIFNSWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-18-6-4-5-10(18)7-14-11-9(2)12(17-13)16-8-15-11/h8,10H,3-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80944201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).