1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C12H21N5O — CID 80915300

IUPAC1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1c(NN)ncnc1NCC1(O)CCCC1
InChIInChI=1S/C12H21N5O/c1-2-9-10(15-8-16-11(9)17-13)14-7-12(18)5-3-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOIABNMURCZNIIK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds5

About 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 80915300) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID80915300
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1c(NN)ncnc1NCC1(O)CCCC1
InChIInChI=1S/C12H21N5O/c1-2-9-10(15-8-16-11(9)17-13)14-7-12(18)5-3-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOIABNMURCZNIIK-UHFFFAOYSA-N
XLogP1.04
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915305
5-ethyl-6-hydrazinyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 80915172
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718
1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80915307
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
1-[[(5-aminopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79916056
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929757

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 80915300) is 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is CCc1c(NN)ncnc1NCC1(O)CCCC1.
What is the InChIKey of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is OIABNMURCZNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-9-10(15-8-16-11(9)17-13)14-7-12(18)5-3-4-6-12/h8,18H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).