6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine

C19H14FN5 — CID 122500857

IUPAC6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1nc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F
InChIInChI=1S/C19H14FN5/c1-11-15(20)5-7-17(25-11)18-13(3-2-8-22-18)12-4-6-16-14(9-12)19(21)24-10-23-16/h2-10H,1H3,(H2,21,23,24)
InChIKeyWXWZYJQUMVBFPH-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.78
Rot. Bonds2

About 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 122500857) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID122500857
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1nc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F
InChIInChI=1S/C19H14FN5/c1-11-15(20)5-7-17(25-11)18-13(3-2-8-22-18)12-4-6-16-14(9-12)19(21)24-10-23-16/h2-10H,1H3,(H2,21,23,24)
InChIKeyWXWZYJQUMVBFPH-UHFFFAOYSA-N
XLogP3.78
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine (CID 122500857) is 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine is Cc1nc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.
What is the InChIKey of 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is WXWZYJQUMVBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-11-15(20)5-7-17(25-11)18-13(3-2-8-22-18)12-4-6-16-14(9-12)19(21)24-10-23-16/h2-10H,1H3,(H2,21,23,24).
What are the key properties of 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 331.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 122500857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).