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

C20H16FN5O — CID 71180800

IUPAC6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccncn2)nc2c(OC)cc(-c3ccccc3F)cc12
InChIInChI=1S/C20H16FN5O/c1-22-19-14-9-12(13-5-3-4-6-15(13)21)10-17(27-2)18(14)25-20(26-19)16-7-8-23-11-24-16/h3-11H,1-2H3,(H,22,25,26)
InChIKeySOZOFSLAKVVMNZ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.94
Rot. Bonds4

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

6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine (PubChem CID 71180800) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine
PubChem CID71180800
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine
SMILESCNc1nc(-c2ccncn2)nc2c(OC)cc(-c3ccccc3F)cc12
InChIInChI=1S/C20H16FN5O/c1-22-19-14-9-12(13-5-3-4-6-15(13)21)10-17(27-2)18(14)25-20(26-19)16-7-8-23-11-24-16/h3-11H,1-2H3,(H,22,25,26)
InChIKeySOZOFSLAKVVMNZ-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-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine (CID 71180800) is 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine is CNc1nc(-c2ccncn2)nc2c(OC)cc(-c3ccccc3F)cc12.
What is the InChIKey of 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine?
The InChIKey is SOZOFSLAKVVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-22-19-14-9-12(13-5-3-4-6-15(13)21)10-17(27-2)18(14)25-20(26-19)16-7-8-23-11-24-16/h3-11H,1-2H3,(H,22,25,26).
What are the key properties of 6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine?
6-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-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-(2-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 71180800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).