3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide

C16H19N3O2 — CID 110761309

IUPAC3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncccn2)cc1C(C)(C)C
InChIInChI=1S/C16H19N3O2/c1-16(2,3)12-10-11(6-7-13(12)21-4)14(20)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19,20)
InChIKeyJHIFGLDVWSFTMD-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.04
Rot. Bonds3

About 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide

3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide (PubChem CID 110761309) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
PubChem CID110761309
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncccn2)cc1C(C)(C)C
InChIInChI=1S/C16H19N3O2/c1-16(2,3)12-10-11(6-7-13(12)21-4)14(20)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19,20)
InChIKeyJHIFGLDVWSFTMD-UHFFFAOYSA-N
XLogP3.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 61034335
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-tert-butyl-2,6-dihydroxyphenyl)-3,4-dimethoxybenzamide
CID 139923822
1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 86923429
1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826728
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide (CID 110761309) is 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide is COc1ccc(C(=O)Nc2ncccn2)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide?
The InChIKey is JHIFGLDVWSFTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)12-10-11(6-7-13(12)21-4)14(20)19-15-17-8-5-9-18-15/h5-10H,1-4H3,(H,17,18,19,20).
What are the key properties of 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide?
3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110761309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).