4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine

C15H17FN2O — CID 56723482

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1-c1c(F)cccc1OC
InChIInChI=1S/C15H17FN2O/c1-4-6-11-9-17-10(2)18-15(11)14-12(16)7-5-8-13(14)19-3/h5,7-9H,4,6H2,1-3H3
InChIKeyKLSQJKRSVDNMJP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.55
Rot. Bonds4

About 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine

4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine (PubChem CID 56723482) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine
PubChem CID56723482
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1-c1c(F)cccc1OC
InChIInChI=1S/C15H17FN2O/c1-4-6-11-9-17-10(2)18-15(11)14-12(16)7-5-8-13(14)19-3/h5,7-9H,4,6H2,1-3H3
InChIKeyKLSQJKRSVDNMJP-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine (CID 56723482) is 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine is CCCc1cnc(C)nc1-c1c(F)cccc1OC.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine?
The InChIKey is KLSQJKRSVDNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-4-6-11-9-17-10(2)18-15(11)14-12(16)7-5-8-13(14)19-3/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine?
4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine has a molecular weight of 260.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-methyl-5-propylpyrimidine is sourced from PubChem (CID 56723482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).