4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

C14H25N5O2 — CID 114954262

IUPAC4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCC(C)c1c(NN)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H25N5O2/c1-10(2)11-12(18-15)16-9-17-13(11)19(3)8-14(20)4-6-21-7-5-14/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyMXMMUAVMEOLYCB-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.86
Rot. Bonds5

About 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114954262) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114954262
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCC(C)c1c(NN)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H25N5O2/c1-10(2)11-12(18-15)16-9-17-13(11)19(3)8-14(20)4-6-21-7-5-14/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyMXMMUAVMEOLYCB-UHFFFAOYSA-N
XLogP0.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
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-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
6-hydrazinyl-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80899159
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
6-hydrazinyl-N-methyl-N-(2-phenylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80924181
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114954262) is 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is CC(C)c1c(NN)ncnc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is MXMMUAVMEOLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)11-12(18-15)16-9-17-13(11)19(3)8-14(20)4-6-21-7-5-14/h9-10,20H,4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 295.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 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)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).