[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol

C13H23N5O2 — CID 106301522

IUPAC[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCC(C)c1c(NN)ncnc1NC1(CO)CCOCC1
InChIInChI=1S/C13H23N5O2/c1-9(2)10-11(15-8-16-12(10)18-14)17-13(7-19)3-5-20-6-4-13/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNGBXWLYTISSFGO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.84
Rot. Bonds5

About [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106301522) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106301522
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCC(C)c1c(NN)ncnc1NC1(CO)CCOCC1
InChIInChI=1S/C13H23N5O2/c1-9(2)10-11(15-8-16-12(10)18-14)17-13(7-19)3-5-20-6-4-13/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNGBXWLYTISSFGO-UHFFFAOYSA-N
XLogP0.84
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.84
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

4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
[1-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80919373
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80803951
(2S)-2-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923492
[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-hydrazinyl-5-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 80923075

Frequently Asked Questions

What is the IUPAC name of [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106301522) is [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol is CC(C)c1c(NN)ncnc1NC1(CO)CCOCC1.
What is the InChIKey of [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is NGBXWLYTISSFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)10-11(15-8-16-12(10)18-14)17-13(7-19)3-5-20-6-4-13/h8-9,19H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106301522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).