2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C18H14N6O — CID 11427490

IUPAC2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H14N6O/c19-10-12-4-3-5-13(8-12)15-9-16(24-18(20)23-15)17(25)22-11-14-6-1-2-7-21-14/h1-9H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyVUEUUBBKHHONJA-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 11427490) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID11427490
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1
InChIInChI=1S/C18H14N6O/c19-10-12-4-3-5-13(8-12)15-9-16(24-18(20)23-15)17(25)22-11-14-6-1-2-7-21-14/h1-9H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyVUEUUBBKHHONJA-UHFFFAOYSA-N
XLogP1.92
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 11427490) is 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is N#Cc1cccc(-c2cc(C(=O)NCc3ccccn3)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is VUEUUBBKHHONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-10-12-4-3-5-13(8-12)15-9-16(24-18(20)23-15)17(25)22-11-14-6-1-2-7-21-14/h1-9H,11H2,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11427490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).