6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline

C14H11FN4O — CID 155354002

IUPAC6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
SMILESCOc1cc(-c2ncc(F)cn2)cc2c(C)ncnc12
InChIInChI=1S/C14H11FN4O/c1-8-11-3-9(14-16-5-10(15)6-17-14)4-12(20-2)13(11)19-7-18-8/h3-7H,1-2H3
InChIKeyHNJZUOSTLDUNOY-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

About 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline

6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline (PubChem CID 155354002) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
PubChem CID155354002
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
SMILESCOc1cc(-c2ncc(F)cn2)cc2c(C)ncnc12
InChIInChI=1S/C14H11FN4O/c1-8-11-3-9(14-16-5-10(15)6-17-14)4-12(20-2)13(11)19-7-18-8/h3-7H,1-2H3
InChIKeyHNJZUOSTLDUNOY-UHFFFAOYSA-N
XLogP2.54
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline (CID 155354002) is 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline is COc1cc(-c2ncc(F)cn2)cc2c(C)ncnc12.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline?
The InChIKey is HNJZUOSTLDUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-11-3-9(14-16-5-10(15)6-17-14)4-12(20-2)13(11)19-7-18-8/h3-7H,1-2H3.
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline?
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline has a molecular weight of 270.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline is sourced from PubChem (CID 155354002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).