(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C9H16FN5O — CID 80922976

IUPAC(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-5(2)7(4-16)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15)/t7-/m1/s1
InChIKeyNEWMNXCDIBZDNH-SSDOTTSWSA-N
MW229.26 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80922976) has the molecular formula C9H16FN5O and a molecular weight of 229.26 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80922976
Molecular FormulaC9H16FN5O
Molecular Weight229.26 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1nc(NN)ncc1F
InChIInChI=1S/C9H16FN5O/c1-5(2)7(4-16)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15)/t7-/m1/s1
InChIKeyNEWMNXCDIBZDNH-SSDOTTSWSA-N
XLogP0.33
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80922976) is (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1nc(NN)ncc1F.
What is the InChIKey of (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is NEWMNXCDIBZDNH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16FN5O/c1-5(2)7(4-16)13-8-6(10)3-12-9(14-8)15-11/h3,5,7,16H,4,11H2,1-2H3,(H2,12,13,14,15)/t7-/m1/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 229.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80922976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).