N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide

C24H27N5O2 — CID 58205211

IUPACN-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide
SMILESCCN(CC)c1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C24H27N5O2/c1-5-29(6-2)21-15-20(25-22(30)18-11-7-9-16(3)13-18)26-24(27-21)28-23(31)19-12-8-10-17(4)14-19/h7-15H,5-6H2,1-4H3,(H2,25,26,27,28,30,31)
InChIKeyFOAHZIJXEQXILI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.44
Rot. Bonds7

About N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide

N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide (PubChem CID 58205211) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide
PubChem CID58205211
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide
SMILESCCN(CC)c1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C24H27N5O2/c1-5-29(6-2)21-15-20(25-22(30)18-11-7-9-16(3)13-18)26-24(27-21)28-23(31)19-12-8-10-17(4)14-19/h7-15H,5-6H2,1-4H3,(H2,25,26,27,28,30,31)
InChIKeyFOAHZIJXEQXILI-UHFFFAOYSA-N
XLogP4.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
N-(5-amino-1,2,4-thiadiazol-3-yl)-3-methylbenzamide
CID 1115754
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-3-methylbenzamide
CID 58205145
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122288391
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide (CID 58205211) is N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide is CCN(CC)c1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide?
The InChIKey is FOAHZIJXEQXILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-29(6-2)21-15-20(25-22(30)18-11-7-9-16(3)13-18)26-24(27-21)28-23(31)19-12-8-10-17(4)14-19/h7-15H,5-6H2,1-4H3,(H2,25,26,27,28,30,31).
What are the key properties of N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide?
N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 58205211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).