4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide

C24H29N5O — CID 50748478

IUPAC4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C24H29N5O/c1-16-25-21(15-22(26-16)29(5)6)27-19-11-13-20(14-12-19)28-23(30)17-7-9-18(10-8-17)24(2,3)4/h7-15H,1-6H3,(H,28,30)(H,25,26,27)
InChIKeyWOSNFAVTFQFBJY-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.14
Rot. Bonds5

About 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide

4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 50748478) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID50748478
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C24H29N5O/c1-16-25-21(15-22(26-16)29(5)6)27-19-11-13-20(14-12-19)28-23(30)17-7-9-18(10-8-17)24(2,3)4/h7-15H,1-6H3,(H,28,30)(H,25,26,27)
InChIKeyWOSNFAVTFQFBJY-UHFFFAOYSA-N
XLogP5.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 50748564
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 122296492
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 50748403
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122296418
N-[6-(dimethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389150
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122296448
4-cyano-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296778
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 122296789

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide (CID 50748478) is 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide is Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N(C)C)n1.
What is the InChIKey of 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is WOSNFAVTFQFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-16-25-21(15-22(26-16)29(5)6)27-19-11-13-20(14-12-19)28-23(30)17-7-9-18(10-8-17)24(2,3)4/h7-15H,1-6H3,(H,28,30)(H,25,26,27).
What are the key properties of 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide?
4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 50748478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).