N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide

C21H22N4O — CID 72718239

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide
SMILESCN(C)c1ccnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-25(2)19-13-14-22-18(24-19)15-23-21(26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,20H,15H2,1-2H3,(H,23,26)
InChIKeyCPFIBHFJEMQJSF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.99
Rot. Bonds6

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide (PubChem CID 72718239) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide
PubChem CID72718239
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide
SMILESCN(C)c1ccnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-25(2)19-13-14-22-18(24-19)15-23-21(26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,20H,15H2,1-2H3,(H,23,26)
InChIKeyCPFIBHFJEMQJSF-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide (CID 72718239) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide is CN(C)c1ccnc(CNC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is CPFIBHFJEMQJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(2)19-13-14-22-18(24-19)15-23-21(26)20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,20H,15H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 346.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 72718239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).