4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide

C20H20N4O — CID 3232607

IUPAC4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nccc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-24(2)20(25)17-10-8-16(9-11-17)19-21-13-12-18(23-19)22-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyJCGWVOTYYIJKPE-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.46
Rot. Bonds5

About 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide

4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide (PubChem CID 3232607) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
PubChem CID3232607
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nccc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-24(2)20(25)17-10-8-16(9-11-17)19-21-13-12-18(23-19)22-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,21,22,23)
InChIKeyJCGWVOTYYIJKPE-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide (CID 3232607) is 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nccc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is JCGWVOTYYIJKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(2)20(25)17-10-8-16(9-11-17)19-21-13-12-18(23-19)22-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 3232607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).