N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide

C22H23N3O — CID 11462102

IUPACN-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-22(2,3)15-20(26)24-19-14-18(16-10-6-4-7-11-16)23-21(25-19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26)
InChIKeyHRLXAMBTUIRRBL-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.19
Rot. Bonds4

About N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide

N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide (PubChem CID 11462102) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide
PubChem CID11462102
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O/c1-22(2,3)15-20(26)24-19-14-18(16-10-6-4-7-11-16)23-21(25-19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26)
InChIKeyHRLXAMBTUIRRBL-UHFFFAOYSA-N
XLogP5.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide (CID 11462102) is N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide?
The InChIKey is HRLXAMBTUIRRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-22(2,3)15-20(26)24-19-14-18(16-10-6-4-7-11-16)23-21(25-19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide?
N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide has a molecular weight of 345.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenylpyrimidin-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 11462102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).