2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide

C20H15FN6O — CID 122444935

IUPAC2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2-c2ncccn2)c2cccc(F)c2n1
InChIInChI=1S/C20H15FN6O/c21-15-8-3-7-14-16(15)26-20(22)27-17(14)19(28)25-11-12-5-1-2-6-13(12)18-23-9-4-10-24-18/h1-10H,11H2,(H,25,28)(H2,22,26,27)
InChIKeyUWYYEGFJAQJCRA-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide

2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide (PubChem CID 122444935) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide
PubChem CID122444935
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2-c2ncccn2)c2cccc(F)c2n1
InChIInChI=1S/C20H15FN6O/c21-15-8-3-7-14-16(15)26-20(22)27-17(14)19(28)25-11-12-5-1-2-6-13(12)18-23-9-4-10-24-18/h1-10H,11H2,(H,25,28)(H2,22,26,27)
InChIKeyUWYYEGFJAQJCRA-UHFFFAOYSA-N
XLogP2.74
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide (CID 122444935) is 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide is Nc1nc(C(=O)NCc2ccccc2-c2ncccn2)c2cccc(F)c2n1.
What is the InChIKey of 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide?
The InChIKey is UWYYEGFJAQJCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c21-15-8-3-7-14-16(15)26-20(22)27-17(14)19(28)25-11-12-5-1-2-6-13(12)18-23-9-4-10-24-18/h1-10H,11H2,(H,25,28)(H2,22,26,27).
What are the key properties of 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide?
2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-N-[(2-pyrimidin-2-ylphenyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).