N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide

C15H13N3O2 — CID 802234

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-14(19)13-8-11-5-3-4-6-12(11)20-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyWJXUZKLBOLKAPI-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.09
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 802234) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
PubChem CID802234
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-14(19)13-8-11-5-3-4-6-12(11)20-13/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyWJXUZKLBOLKAPI-UHFFFAOYSA-N
XLogP3.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
CID 122356252
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1-benzofuran-2-carboxamide
CID 72717798
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide (CID 802234) is N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WJXUZKLBOLKAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-10(2)17-15(16-9)18-14(19)13-8-11-5-3-4-6-12(11)20-13/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 802234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).