1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

C14H27N5O — CID 80969009

IUPAC1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H27N5O/c1-9(2)7-14(5,20)8-16-11-6-12(19-15)18-13(17-11)10(3)4/h6,9-10,20H,7-8,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyLTSYACNXQCISDM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.09
Rot. Bonds7

About 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 80969009) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID80969009
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C14H27N5O/c1-9(2)7-14(5,20)8-16-11-6-12(19-15)18-13(17-11)10(3)4/h6,9-10,20H,7-8,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyLTSYACNXQCISDM-UHFFFAOYSA-N
XLogP2.09
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
1-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80937784
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80851643

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 80969009) is 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is LTSYACNXQCISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-9(2)7-14(5,20)8-16-11-6-12(19-15)18-13(17-11)10(3)4/h6,9-10,20H,7-8,15H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80969009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).