3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H16N6O4 — CID 106103690

IUPAC3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O4/c1-6-10(17,2-3-20-6)5-13-8-7(16(18)19)4-12-9(14-8)15-11/h4,6,17H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyDMHJSKBVTMCMQI-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.38
Rot. Bonds5

About 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103690) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103690
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O4/c1-6-10(17,2-3-20-6)5-13-8-7(16(18)19)4-12-9(14-8)15-11/h4,6,17H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyDMHJSKBVTMCMQI-UHFFFAOYSA-N
XLogP-0.38
TPSA148.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103692
3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103547
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-[[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106102324
3-[(4,5-dichloro-2-nitroanilino)methyl]-2-methyloxolan-3-ol
CID 106102476
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103690) is 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1nc(NN)ncc1[N+](=O)[O-].
What is the InChIKey of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is DMHJSKBVTMCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-6-10(17,2-3-20-6)5-13-8-7(16(18)19)4-12-9(14-8)15-11/h4,6,17H,2-3,5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 284.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).