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

C27H32N4O2 — CID 58205174

IUPAC4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C27H32N4O2/c1-17-16-22(29-23(32)18-8-12-20(13-9-18)26(2,3)4)30-25(28-17)31-24(33)19-10-14-21(15-11-19)27(5,6)7/h8-16H,1-7H3,(H2,28,29,30,31,32,33)
InChIKeyOBZBCORBXIXRCV-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.88
Rot. Bonds4

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

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide (PubChem CID 58205174) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
PubChem CID58205174
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C27H32N4O2/c1-17-16-22(29-23(32)18-8-12-20(13-9-18)26(2,3)4)30-25(28-17)31-24(33)19-10-14-21(15-11-19)27(5,6)7/h8-16H,1-7H3,(H2,28,29,30,31,32,33)
InChIKeyOBZBCORBXIXRCV-UHFFFAOYSA-N
XLogP5.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-(3,3-dimethylbut-1-enyl)-N-(2,6-dimethylpyrimidin-4-yl)benzamide
CID 72833977
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 18566630
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
CID 3254451
4-tert-butyl-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075067
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
CID 58205178

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide (CID 58205174) is 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide is Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
The InChIKey is OBZBCORBXIXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-17-16-22(29-23(32)18-8-12-20(13-9-18)26(2,3)4)30-25(28-17)31-24(33)19-10-14-21(15-11-19)27(5,6)7/h8-16H,1-7H3,(H2,28,29,30,31,32,33).
What are the key properties of 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide?
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 58205174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).