4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine

C11H10ClIN4 — CID 66293293

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
SMILESCn1ccc(-c2nc(Cl)c(I)c(C3CC3)n2)n1
InChIInChI=1S/C11H10ClIN4/c1-17-5-4-7(16-17)11-14-9(6-2-3-6)8(13)10(12)15-11/h4-6H,2-3H2,1H3
InChIKeyVWPOBGKJPSFBSV-UHFFFAOYSA-N
MW360.59 g/mol
LogP3.01
Rot. Bonds2

About 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine (PubChem CID 66293293) has the molecular formula C11H10ClIN4 and a molecular weight of 360.59 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
PubChem CID66293293
Molecular FormulaC11H10ClIN4
Molecular Weight360.59 g/mol
Exact Mass359.96
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
SMILESCn1ccc(-c2nc(Cl)c(I)c(C3CC3)n2)n1
InChIInChI=1S/C11H10ClIN4/c1-17-5-4-7(16-17)11-14-9(6-2-3-6)8(13)10(12)15-11/h4-6H,2-3H2,1H3
InChIKeyVWPOBGKJPSFBSV-UHFFFAOYSA-N
XLogP3.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine (CID 66293293) is 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine is Cn1ccc(-c2nc(Cl)c(I)c(C3CC3)n2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine?
The InChIKey is VWPOBGKJPSFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4/c1-17-5-4-7(16-17)11-14-9(6-2-3-6)8(13)10(12)15-11/h4-6H,2-3H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine has a molecular weight of 360.59 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 66293293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).