1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

C15H23N5O2S — CID 13457967

IUPAC1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1cccs1)NCC(O)COc1ccnc(NN)n1
InChIInChI=1S/C15H23N5O2S/c1-15(2,8-12-4-3-7-23-12)18-9-11(21)10-22-13-5-6-17-14(19-13)20-16/h3-7,11,18,21H,8-10,16H2,1-2H3,(H,17,19,20)
InChIKeyBOVQJNZXONGEPA-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.17
Rot. Bonds9

About 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol

1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 13457967) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID13457967
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1cccs1)NCC(O)COc1ccnc(NN)n1
InChIInChI=1S/C15H23N5O2S/c1-15(2,8-12-4-3-7-23-12)18-9-11(21)10-22-13-5-6-17-14(19-13)20-16/h3-7,11,18,21H,8-10,16H2,1-2H3,(H,17,19,20)
InChIKeyBOVQJNZXONGEPA-UHFFFAOYSA-N
XLogP1.17
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.17
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

1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13096685
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595
1-(1,2,5-thiadiazol-3-yloxy)-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291899
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
(4-heptoxypyrimidin-2-yl)hydrazine
CID 80910870
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide
CID 10174388
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol (CID 13457967) is 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is CC(C)(Cc1cccs1)NCC(O)COc1ccnc(NN)n1.
What is the InChIKey of 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is BOVQJNZXONGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-15(2,8-12-4-3-7-23-12)18-9-11(21)10-22-13-5-6-17-14(19-13)20-16/h3-7,11,18,21H,8-10,16H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol?
1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 337.45 g/mol, XLogP of 1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylpyrimidin-4-yl)oxy-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 13457967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).