4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine

C14H11ClN4 — CID 43557664

IUPAC4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
SMILESCn1cc(-c2nc(Cl)cc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H11ClN4/c1-19-9-11(8-16-19)14-17-12(7-13(15)18-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySLPDKGFCWQPSTI-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine

4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine (PubChem CID 43557664) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
PubChem CID43557664
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
SMILESCn1cc(-c2nc(Cl)cc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H11ClN4/c1-19-9-11(8-16-19)14-17-12(7-13(15)18-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySLPDKGFCWQPSTI-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine (CID 43557664) is 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine is Cn1cc(-c2nc(Cl)cc(-c3ccccc3)n2)cn1.
What is the InChIKey of 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine?
The InChIKey is SLPDKGFCWQPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c1-19-9-11(8-16-19)14-17-12(7-13(15)18-14)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine?
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine has a molecular weight of 270.72 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine is sourced from PubChem (CID 43557664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).