2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C10H16N6O3 — CID 80925737

IUPAC2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNNc1ncnc(NCC2CCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c11-15-10-8(16(18)19)9(13-5-14-10)12-4-6-2-1-3-7(6)17/h5-7,17H,1-4,11H2,(H2,12,13,14,15)
InChIKeyNTBUDADQMRNHHL-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.24
Rot. Bonds5

About 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 80925737) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID80925737
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNNc1ncnc(NCC2CCCC2O)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c11-15-10-8(16(18)19)9(13-5-14-10)12-4-6-2-1-3-7(6)17/h5-7,17H,1-4,11H2,(H2,12,13,14,15)
InChIKeyNTBUDADQMRNHHL-UHFFFAOYSA-N
XLogP0.24
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.24
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-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80924426
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 80903432
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclopentan-1-ol
CID 80924148
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
2-[(3-hydrazinyl-2-nitroanilino)methyl]cyclohexan-1-ol
CID 80915431
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 80915820
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80898756
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106812142
3-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103269696
[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968805
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 80925737) is 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is NNc1ncnc(NCC2CCCC2O)c1[N+](=O)[O-].
What is the InChIKey of 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NTBUDADQMRNHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-15-10-8(16(18)19)9(13-5-14-10)12-4-6-2-1-3-7(6)17/h5-7,17H,1-4,11H2,(H2,12,13,14,15).
What are the key properties of 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 268.28 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).