4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide

C19H25N3O3 — CID 21361477

IUPAC4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide
SMILESCOc1ncc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)c(OC)n1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)10-11-20-16(23)14-8-6-13(7-9-14)15-12-21-18(25-5)22-17(15)24-4/h6-9,12H,10-11H2,1-5H3,(H,20,23)
InChIKeyQTFMFVBLMIJFRI-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.33
Rot. Bonds6

About 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide

4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide (PubChem CID 21361477) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide
PubChem CID21361477
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide
SMILESCOc1ncc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)c(OC)n1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)10-11-20-16(23)14-8-6-13(7-9-14)15-12-21-18(25-5)22-17(15)24-4/h6-9,12H,10-11H2,1-5H3,(H,20,23)
InChIKeyQTFMFVBLMIJFRI-UHFFFAOYSA-N
XLogP3.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide?
The IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide (CID 21361477) is 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide.
What is the SMILES notation for 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide?
The canonical SMILES for 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide is COc1ncc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)c(OC)n1.
What is the InChIKey of 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide?
The InChIKey is QTFMFVBLMIJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)10-11-20-16(23)14-8-6-13(7-9-14)15-12-21-18(25-5)22-17(15)24-4/h6-9,12H,10-11H2,1-5H3,(H,20,23).
What are the key properties of 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide?
4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxypyrimidin-5-yl)-N-(3,3-dimethylbutyl)benzamide is sourced from PubChem (CID 21361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).