4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol

C10H19N5O3 — CID 106249050

IUPAC4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncnc(NN)c1OC
InChIInChI=1S/C10H19N5O3/c1-17-5-7(16)3-4-12-9-8(18-2)10(15-11)14-6-13-9/h6-7,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyKKLOAPRRPCQDKX-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.42
Rot. Bonds8

About 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol

4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106249050) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
PubChem CID106249050
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ncnc(NN)c1OC
InChIInChI=1S/C10H19N5O3/c1-17-5-7(16)3-4-12-9-8(18-2)10(15-11)14-6-13-9/h6-7,16H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyKKLOAPRRPCQDKX-UHFFFAOYSA-N
XLogP-0.42
TPSA114.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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)amino]-1-methoxybutan-2-ol
CID 106249039
5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163669
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
4-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106249041
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
4-[(2-amino-5-bromopyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248797
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
[6-(2,2-difluoroethoxy)-5-methoxypyrimidin-4-yl]hydrazine
CID 82009941
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol (CID 106249050) is 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1ncnc(NN)c1OC.
What is the InChIKey of 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is KKLOAPRRPCQDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-17-5-7(16)3-4-12-9-8(18-2)10(15-11)14-6-13-9/h6-7,16H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol?
4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 257.29 g/mol, XLogP of -0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106249050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).