3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

C12H21N5O2 — CID 106103610

IUPAC3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCCc1nc(NN)cc(NCC2(O)CCOC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-3-9-15-10(6-11(16-9)17-13)14-7-12(18)4-5-19-8-12/h6,18H,2-5,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeyYDHBGFDNWJJYQR-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.28
Rot. Bonds6

About 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106103610) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106103610
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESCCCc1nc(NN)cc(NCC2(O)CCOC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-3-9-15-10(6-11(16-9)17-13)14-7-12(18)4-5-19-8-12/h6,18H,2-5,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeyYDHBGFDNWJJYQR-UHFFFAOYSA-N
XLogP0.28
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.28
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'}

Analyze 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 106103610) is 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is CCCc1nc(NN)cc(NCC2(O)CCOC2)n1.
What is the InChIKey of 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is YDHBGFDNWJJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-3-9-15-10(6-11(16-9)17-13)14-7-12(18)4-5-19-8-12/h6,18H,2-5,7-8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 267.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).