4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine

C16H13ClN2O — CID 104845868

IUPAC4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C)c(-c3ccccc3)n2)o1
InChIInChI=1S/C16H13ClN2O/c1-10-8-9-13(20-10)16-18-14(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyRSPAAXJTGCOOBR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine

4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine (PubChem CID 104845868) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
PubChem CID104845868
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
SMILESCc1ccc(-c2nc(Cl)c(C)c(-c3ccccc3)n2)o1
InChIInChI=1S/C16H13ClN2O/c1-10-8-9-13(20-10)16-18-14(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyRSPAAXJTGCOOBR-UHFFFAOYSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine (CID 104845868) is 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine is Cc1ccc(-c2nc(Cl)c(C)c(-c3ccccc3)n2)o1.
What is the InChIKey of 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine?
The InChIKey is RSPAAXJTGCOOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-8-9-13(20-10)16-18-14(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine?
4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine has a molecular weight of 284.75 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 104845868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).