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

C17H15N5O — CID 44520942

IUPAC2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22)
InChIKeyJEPXTONICDQEJX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.05
Rot. Bonds4

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

2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 44520942) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID44520942
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22)
InChIKeyJEPXTONICDQEJX-UHFFFAOYSA-N
XLogP2.05
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 44520942) is 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccccn2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is JEPXTONICDQEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17-21-14(12-6-2-1-3-7-12)10-15(22-17)16(23)20-11-13-8-4-5-9-19-13/h1-10H,11H2,(H,20,23)(H2,18,21,22).
What are the key properties of 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44520942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).