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

C14H27N5O2 — CID 106256559

IUPAC1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O2/c1-9(2)11-17-12(10(3)13(18-11)19-15)16-8-14(4,20)6-7-21-5/h9,20H,6-8,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyBNBJTZJJQHEVSX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.39
Rot. Bonds8

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

1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106256559) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106256559
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C14H27N5O2/c1-9(2)11-17-12(10(3)13(18-11)19-15)16-8-14(4,20)6-7-21-5/h9,20H,6-8,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyBNBJTZJJQHEVSX-UHFFFAOYSA-N
XLogP1.39
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106256559) is 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is BNBJTZJJQHEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-9(2)11-17-12(10(3)13(18-11)19-15)16-8-14(4,20)6-7-21-5/h9,20H,6-8,15H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106256559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).