[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

C11H18N6O3 — CID 114179883

IUPAC[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nc(NN)nc(NC2CCCC2CO)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-6-9(17(19)20)10(15-11(13-6)16-12)14-8-4-2-3-7(8)5-18/h7-8,18H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyFZWPAHBNKUHZFH-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.55
Rot. Bonds5

About [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol

[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 114179883) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID114179883
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCc1nc(NN)nc(NC2CCCC2CO)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-6-9(17(19)20)10(15-11(13-6)16-12)14-8-4-2-3-7(8)5-18/h7-8,18H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyFZWPAHBNKUHZFH-UHFFFAOYSA-N
XLogP0.55
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol with MolForge

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Related Compounds

[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368292
3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163701
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
1-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-ol
CID 114045121
[(1S,2R)-2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]cyclohexyl]methanol
CID 95774894
[(1S,2S)-2-[[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]amino]cyclohexyl]methanol
CID 95774895
[4-methyl-5-nitro-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 114045275
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
[2-[(2-hydrazinylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106368360
N-hexan-2-yl-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045013
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol (CID 114179883) is [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is Cc1nc(NN)nc(NC2CCCC2CO)c1[N+](=O)[O-].
What is the InChIKey of [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is FZWPAHBNKUHZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-6-9(17(19)20)10(15-11(13-6)16-12)14-8-4-2-3-7(8)5-18/h7-8,18H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol?
[2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 282.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 114179883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).