2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C17H14FN5O — CID 44520943

IUPAC2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)
InChIKeyVYYOZWHQGQCBOI-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520943) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520943
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23)
InChIKeyVYYOZWHQGQCBOI-UHFFFAOYSA-N
XLogP2.19
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520943) is 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2F)n1.
What is the InChIKey of 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is VYYOZWHQGQCBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-7-2-1-6-12(13)14-9-15(23-17(19)22-14)16(24)21-10-11-5-3-4-8-20-11/h1-9H,10H2,(H,21,24)(H2,19,22,23).
What are the key properties of 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).