4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine

C16H14ClFN2O — CID 114734240

IUPAC4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C16H14ClFN2O/c1-3-4-14-19-15(9(2)16(17)20-14)13-8-10-7-11(18)5-6-12(10)21-13/h5-8H,3-4H2,1-2H3
InChIKeyILOAFFNAKMIWFI-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.94
Rot. Bonds3

About 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine

4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine (PubChem CID 114734240) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
PubChem CID114734240
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C16H14ClFN2O/c1-3-4-14-19-15(9(2)16(17)20-14)13-8-10-7-11(18)5-6-12(10)21-13/h5-8H,3-4H2,1-2H3
InChIKeyILOAFFNAKMIWFI-UHFFFAOYSA-N
XLogP4.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine (CID 114734240) is 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine?
The InChIKey is ILOAFFNAKMIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-3-4-14-19-15(9(2)16(17)20-14)13-8-10-7-11(18)5-6-12(10)21-13/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine has a molecular weight of 304.75 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 114734240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).