5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine

C14H10BrClN4 — CID 114553979

IUPAC5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine
SMILESCn1nccc1-c1nc(Cl)c(Br)c(-c2ccccc2)n1
InChIInChI=1S/C14H10BrClN4/c1-20-10(7-8-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMSRCCIICGMFTQK-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.96
Rot. Bonds2

About 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine

5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine (PubChem CID 114553979) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine
PubChem CID114553979
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine
SMILESCn1nccc1-c1nc(Cl)c(Br)c(-c2ccccc2)n1
InChIInChI=1S/C14H10BrClN4/c1-20-10(7-8-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyMSRCCIICGMFTQK-UHFFFAOYSA-N
XLogP3.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.96
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-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine (CID 114553979) is 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine is Cn1nccc1-c1nc(Cl)c(Br)c(-c2ccccc2)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine?
The InChIKey is MSRCCIICGMFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c1-20-10(7-8-17-20)14-18-12(11(15)13(16)19-14)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine?
5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine has a molecular weight of 349.62 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2-methylpyrazol-3-yl)-6-phenylpyrimidine is sourced from PubChem (CID 114553979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).