5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine

C19H14FN5 — CID 150015395

IUPAC5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine
SMILESCc1ncnc2c(F)cc(-c3cnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C19H14FN5/c1-11-14-7-13(8-16(20)18(14)24-10-23-11)15-9-22-19(21)25-17(15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,22,25)
InChIKeyDEDOXGSJKIWLHL-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.78
Rot. Bonds2

About 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine

5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine (PubChem CID 150015395) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine
PubChem CID150015395
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine
SMILESCc1ncnc2c(F)cc(-c3cnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C19H14FN5/c1-11-14-7-13(8-16(20)18(14)24-10-23-11)15-9-22-19(21)25-17(15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,22,25)
InChIKeyDEDOXGSJKIWLHL-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 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine (CID 150015395) is 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine is Cc1ncnc2c(F)cc(-c3cnc(N)nc3-c3ccccc3)cc12.
What is the InChIKey of 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine?
The InChIKey is DEDOXGSJKIWLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-11-14-7-13(8-16(20)18(14)24-10-23-11)15-9-22-19(21)25-17(15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,22,25).
What are the key properties of 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine?
5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-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 5-(8-fluoro-4-methylquinazolin-6-yl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 150015395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).