6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine

C20H16FN5O — CID 71179936

IUPAC6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine
SMILESCNc1nc(-c2cncnc2)nc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN5O/c1-22-20-16-7-13(12-3-5-15(21)6-4-12)8-17(27-2)18(16)25-19(26-20)14-9-23-11-24-10-14/h3-11H,1-2H3,(H,22,25,26)
InChIKeyFYOYXSZQCMDBJB-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.94
Rot. Bonds4

About 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine

6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine (PubChem CID 71179936) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine
PubChem CID71179936
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine
SMILESCNc1nc(-c2cncnc2)nc2c(OC)cc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN5O/c1-22-20-16-7-13(12-3-5-15(21)6-4-12)8-17(27-2)18(16)25-19(26-20)14-9-23-11-24-10-14/h3-11H,1-2H3,(H,22,25,26)
InChIKeyFYOYXSZQCMDBJB-UHFFFAOYSA-N
XLogP3.94
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine (CID 71179936) is 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine is CNc1nc(-c2cncnc2)nc2c(OC)cc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine?
The InChIKey is FYOYXSZQCMDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-22-20-16-7-13(12-3-5-15(21)6-4-12)8-17(27-2)18(16)25-19(26-20)14-9-23-11-24-10-14/h3-11H,1-2H3,(H,22,25,26).
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine?
6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine has a molecular weight of 361.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine is sourced from PubChem (CID 71179936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).