4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide

C21H24N6O — CID 119073466

IUPAC4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
SMILESCc1cnc(-c2ccc(C(=O)NC(C)Cc3cnccn3)cc2)nc1N(C)C
InChIInChI=1S/C21H24N6O/c1-14-12-24-19(26-20(14)27(3)4)16-5-7-17(8-6-16)21(28)25-15(2)11-18-13-22-9-10-23-18/h5-10,12-13,15H,11H2,1-4H3,(H,25,28)
InChIKeyYIAORMNETZIXKS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.67
Rot. Bonds6

About 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide

4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide (PubChem CID 119073466) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
PubChem CID119073466
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
SMILESCc1cnc(-c2ccc(C(=O)NC(C)Cc3cnccn3)cc2)nc1N(C)C
InChIInChI=1S/C21H24N6O/c1-14-12-24-19(26-20(14)27(3)4)16-5-7-17(8-6-16)21(28)25-15(2)11-18-13-22-9-10-23-18/h5-10,12-13,15H,11H2,1-4H3,(H,25,28)
InChIKeyYIAORMNETZIXKS-UHFFFAOYSA-N
XLogP2.67
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 125160027
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 119070117
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97129067
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid
CID 77086183
2-amino-4-methyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 99954745
N-[(2S)-butan-2-yl]-4-(dimethylamino)-2-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 93140853
N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790811
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide (CID 119073466) is 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide is Cc1cnc(-c2ccc(C(=O)NC(C)Cc3cnccn3)cc2)nc1N(C)C.
What is the InChIKey of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
The InChIKey is YIAORMNETZIXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-12-24-19(26-20(14)27(3)4)16-5-7-17(8-6-16)21(28)25-15(2)11-18-13-22-9-10-23-18/h5-10,12-13,15H,11H2,1-4H3,(H,25,28).
What are the key properties of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide?
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 119073466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).