N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

C11H18N6O3 — CID 80910265

IUPACN-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NCCOC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c12-16-11-9(17(18)19)10(14-7-15-11)13-5-6-20-8-3-1-2-4-8/h7-8H,1-6,12H2,(H2,13,14,15,16)
InChIKeyDURXOAIEGRSMDD-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.04
Rot. Bonds7

About N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine

N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 80910265) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID80910265
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC NameN-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
SMILESNNc1ncnc(NCCOC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c12-16-11-9(17(18)19)10(14-7-15-11)13-5-6-20-8-3-1-2-4-8/h7-8H,1-6,12H2,(H2,13,14,15,16)
InChIKeyDURXOAIEGRSMDD-UHFFFAOYSA-N
XLogP1.04
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
4-N-cyclohexyl-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine
CID 23487712
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 80903432
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341005
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327655
4-N-cycloheptyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526142
N-(dicyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80897108

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine (CID 80910265) is N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is NNc1ncnc(NCCOC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is DURXOAIEGRSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c12-16-11-9(17(18)19)10(14-7-15-11)13-5-6-20-8-3-1-2-4-8/h7-8H,1-6,12H2,(H2,13,14,15,16).
What are the key properties of N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine?
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 282.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80910265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).