5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine

C15H12BrClN4 — CID 66312645

IUPAC5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cnn(-c3ccccc3)c2)nc(Cl)c1Br
InChIInChI=1S/C15H12BrClN4/c1-2-12-13(16)14(17)20-15(19-12)10-8-18-21(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyIGNNXTQVHZPGJN-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine (PubChem CID 66312645) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine
PubChem CID66312645
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cnn(-c3ccccc3)c2)nc(Cl)c1Br
InChIInChI=1S/C15H12BrClN4/c1-2-12-13(16)14(17)20-15(19-12)10-8-18-21(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyIGNNXTQVHZPGJN-UHFFFAOYSA-N
XLogP4.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine (CID 66312645) is 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine is CCc1nc(-c2cnn(-c3ccccc3)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine?
The InChIKey is IGNNXTQVHZPGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c1-2-12-13(16)14(17)20-15(19-12)10-8-18-21(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine has a molecular weight of 363.65 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(1-phenylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 66312645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).