4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

C13H23N5O2 — CID 114954252

IUPAC4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCCc1c(NN)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H23N5O2/c1-3-10-11(17-14)15-9-16-12(10)18(2)8-13(19)4-6-20-7-5-13/h9,19H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyUFVAVSUBVHPTTB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.30
Rot. Bonds5

About 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114954252) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114954252
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCCc1c(NN)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H23N5O2/c1-3-10-11(17-14)15-9-16-12(10)18(2)8-13(19)4-6-20-7-5-13/h9,19H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyUFVAVSUBVHPTTB-UHFFFAOYSA-N
XLogP0.30
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.30
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'}

Analyze 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
1-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80915300
5-ethyl-6-hydrazinyl-N-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80906749

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114954252) is 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is CCc1c(NN)ncnc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is UFVAVSUBVHPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-10-11(17-14)15-9-16-12(10)18(2)8-13(19)4-6-20-7-5-13/h9,19H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 281.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).