2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine

C11H10Cl2N4 — CID 171627252

IUPAC2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
SMILESClc1ncc(Cl)c(-c2cnn(C3CCC3)c2)n1
InChIInChI=1S/C11H10Cl2N4/c12-9-5-14-11(13)16-10(9)7-4-15-17(6-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyGZTPAOZIIFSKIA-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.37
Rot. Bonds2

About 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine

2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine (PubChem CID 171627252) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.13 g/mol. Its IUPAC name is 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
PubChem CID171627252
Molecular FormulaC11H10Cl2N4
Molecular Weight269.13 g/mol
Exact Mass268.03
IUPAC Name2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
SMILESClc1ncc(Cl)c(-c2cnn(C3CCC3)c2)n1
InChIInChI=1S/C11H10Cl2N4/c12-9-5-14-11(13)16-10(9)7-4-15-17(6-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyGZTPAOZIIFSKIA-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine (CID 171627252) is 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine is Clc1ncc(Cl)c(-c2cnn(C3CCC3)c2)n1.
What is the InChIKey of 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine?
The InChIKey is GZTPAOZIIFSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c12-9-5-14-11(13)16-10(9)7-4-15-17(6-7)8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine?
2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 171627252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).