3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C10H16FN5O2 — CID 106103692

IUPAC3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyPQNYIFZFGVOTLR-UHFFFAOYSA-N
MW257.27 g/mol
LogP-0.15
Rot. Bonds4

About 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106103692) has the molecular formula C10H16FN5O2 and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106103692
Molecular FormulaC10H16FN5O2
Molecular Weight257.27 g/mol
Exact Mass257.13
IUPAC Name3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1nc(NN)ncc1F
InChIInChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyPQNYIFZFGVOTLR-UHFFFAOYSA-N
XLogP-0.15
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103690
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
3-[(2-amino-4,5-difluoroanilino)methyl]-2-methyloxolan-3-ol
CID 112751875
5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
CID 80926794
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 106099685
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106103692) is 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1nc(NN)ncc1F.
What is the InChIKey of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is PQNYIFZFGVOTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O2/c1-6-10(17,2-3-18-6)5-14-8-7(11)4-13-9(15-8)16-12/h4,6,17H,2-3,5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 257.27 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).