6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine

C18H12ClFN6 — CID 171341590

IUPAC6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNc1ncc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)cn1
InChIInChI=1S/C18H12ClFN6/c19-13-2-1-3-15(16(13)20)26-17-12-6-10(4-5-14(12)24-9-25-17)11-7-22-18(21)23-8-11/h1-9H,(H2,21,22,23)(H,24,25,26)
InChIKeyXZNQQXVPGWXSEM-UHFFFAOYSA-N
MW366.79 g/mol
LogP4.21
Rot. Bonds3

About 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine

6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine (PubChem CID 171341590) has the molecular formula C18H12ClFN6 and a molecular weight of 366.79 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
PubChem CID171341590
Molecular FormulaC18H12ClFN6
Molecular Weight366.79 g/mol
Exact Mass366.08
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNc1ncc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)cn1
InChIInChI=1S/C18H12ClFN6/c19-13-2-1-3-15(16(13)20)26-17-12-6-10(4-5-14(12)24-9-25-17)11-7-22-18(21)23-8-11/h1-9H,(H2,21,22,23)(H,24,25,26)
InChIKeyXZNQQXVPGWXSEM-UHFFFAOYSA-N
XLogP4.21
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine (CID 171341590) is 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine is Nc1ncc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
The InChIKey is XZNQQXVPGWXSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6/c19-13-2-1-3-15(16(13)20)26-17-12-6-10(4-5-14(12)24-9-25-17)11-7-22-18(21)23-8-11/h1-9H,(H2,21,22,23)(H,24,25,26).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine?
6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine has a molecular weight of 366.79 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 171341590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).