N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide

C17H18N4O2 — CID 122356252

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H18N4O2/c1-10-15(11(2)19-17(18-10)21(3)4)20-16(22)14-9-12-7-5-6-8-13(12)23-14/h5-9H,1-4H3,(H,20,22)
InChIKeyKTWLCRHIPJNFQQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.16
Rot. Bonds3

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 122356252) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID122356252
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H18N4O2/c1-10-15(11(2)19-17(18-10)21(3)4)20-16(22)14-9-12-7-5-6-8-13(12)23-14/h5-9H,1-4H3,(H,20,22)
InChIKeyKTWLCRHIPJNFQQ-UHFFFAOYSA-N
XLogP3.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
CID 43549971
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
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-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide (CID 122356252) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide is Cc1nc(N(C)C)nc(C)c1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is KTWLCRHIPJNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-15(11(2)19-17(18-10)21(3)4)20-16(22)14-9-12-7-5-6-8-13(12)23-14/h5-9H,1-4H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122356252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).