N-(4,6-diphenylpyrimidin-2-yl)pentanamide

C21H21N3O — CID 11450364

IUPACN-(4,6-diphenylpyrimidin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-2-3-14-20(25)24-21-22-18(16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25)
InChIKeyUSYDGSXEKYPSDH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.94
Rot. Bonds6

About N-(4,6-diphenylpyrimidin-2-yl)pentanamide

N-(4,6-diphenylpyrimidin-2-yl)pentanamide (PubChem CID 11450364) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)pentanamide
PubChem CID11450364
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O/c1-2-3-14-20(25)24-21-22-18(16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25)
InChIKeyUSYDGSXEKYPSDH-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)pentanamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)pentanamide (CID 11450364) is N-(4,6-diphenylpyrimidin-2-yl)pentanamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)pentanamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)pentanamide is CCCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)pentanamide?
The InChIKey is USYDGSXEKYPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-3-14-20(25)24-21-22-18(16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25).
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)pentanamide?
N-(4,6-diphenylpyrimidin-2-yl)pentanamide has a molecular weight of 331.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)pentanamide is sourced from PubChem (CID 11450364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).