1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

C13H23N5O2 — CID 106256622

IUPAC1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O2/c1-13(19,5-6-20-2)8-15-10-7-11(18-14)17-12(16-10)9-3-4-9/h7,9,19H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKGAOKRZJTZZMG-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.84
Rot. Bonds8

About 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106256622) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106256622
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H23N5O2/c1-13(19,5-6-20-2)8-15-10-7-11(18-14)17-12(16-10)9-3-4-9/h7,9,19H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKGAOKRZJTZZMG-UHFFFAOYSA-N
XLogP0.84
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.84
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-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106256622) is 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is OKGAOKRZJTZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(19,5-6-20-2)8-15-10-7-11(18-14)17-12(16-10)9-3-4-9/h7,9,19H,3-6,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 281.36 g/mol, XLogP of 0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106256622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).