4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

C12H23N5O — CID 106847086

IUPAC4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NCCCCO
InChIInChI=1S/C12H23N5O/c1-8(2)10-15-11(14-6-4-5-7-18)9(3)12(16-10)17-13/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyIKLYVUXFBQSCIV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.38
Rot. Bonds7

About 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol

4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 106847086) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID106847086
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(NN)nc(C(C)C)nc1NCCCCO
InChIInChI=1S/C12H23N5O/c1-8(2)10-15-11(14-6-4-5-7-18)9(3)12(16-10)17-13/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyIKLYVUXFBQSCIV-UHFFFAOYSA-N
XLogP1.38
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol with MolForge

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Related Compounds

5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006788
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethanol
CID 80932442
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol (CID 106847086) is 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is Cc1c(NN)nc(C(C)C)nc1NCCCCO.
What is the InChIKey of 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is IKLYVUXFBQSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8(2)10-15-11(14-6-4-5-7-18)9(3)12(16-10)17-13/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol?
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106847086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).