1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol

C11H14IN5O — CID 154640606

IUPAC1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2ncc(I)cn2)cn1
InChIInChI=1S/C11H14IN5O/c1-11(2,18)7-17-6-9(5-15-17)16-10-13-3-8(12)4-14-10/h3-6,18H,7H2,1-2H3,(H,13,14,16)
InChIKeyUGSXBKVAIIJVHT-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 154640606) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID154640606
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC Name1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2ncc(I)cn2)cn1
InChIInChI=1S/C11H14IN5O/c1-11(2,18)7-17-6-9(5-15-17)16-10-13-3-8(12)4-14-10/h3-6,18H,7H2,1-2H3,(H,13,14,16)
InChIKeyUGSXBKVAIIJVHT-UHFFFAOYSA-N
XLogP1.79
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol (CID 154640606) is 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Nc2ncc(I)cn2)cn1.
What is the InChIKey of 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is UGSXBKVAIIJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5O/c1-11(2,18)7-17-6-9(5-15-17)16-10-13-3-8(12)4-14-10/h3-6,18H,7H2,1-2H3,(H,13,14,16).
What are the key properties of 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 359.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 154640606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).