2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine

C10H10ClIN4 — CID 51034341

IUPAC2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
SMILESCC(C)n1cc(-c2ccnc(Cl)n2)c(I)n1
InChIInChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3
InChIKeyNVQXUVPDZGMTOH-UHFFFAOYSA-N
MW348.58 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine

2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine (PubChem CID 51034341) has the molecular formula C10H10ClIN4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
PubChem CID51034341
Molecular FormulaC10H10ClIN4
Molecular Weight348.58 g/mol
Exact Mass347.96
IUPAC Name2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine
SMILESCC(C)n1cc(-c2ccnc(Cl)n2)c(I)n1
InChIInChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3
InChIKeyNVQXUVPDZGMTOH-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 53.18
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 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine (CID 51034341) is 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine is CC(C)n1cc(-c2ccnc(Cl)n2)c(I)n1.
What is the InChIKey of 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine?
The InChIKey is NVQXUVPDZGMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN4/c1-6(2)16-5-7(9(12)15-16)8-3-4-13-10(11)14-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine?
2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine has a molecular weight of 348.58 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 51034341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).