N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide

C17H21N5O — CID 3234754

IUPACN,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2N2CCNCC2)cc1
InChIInChI=1S/C17H21N5O/c1-21(2)17(23)14-5-3-13(4-6-14)15-11-19-12-20-16(15)22-9-7-18-8-10-22/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyBDMAQWDKNOAJKG-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.25
Rot. Bonds3

About N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide

N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 3234754) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide
PubChem CID3234754
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2N2CCNCC2)cc1
InChIInChI=1S/C17H21N5O/c1-21(2)17(23)14-5-3-13(4-6-14)15-11-19-12-20-16(15)22-9-7-18-8-10-22/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyBDMAQWDKNOAJKG-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide (CID 3234754) is N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide is CN(C)C(=O)c1ccc(-c2cncnc2N2CCNCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is BDMAQWDKNOAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)17(23)14-5-3-13(4-6-14)15-11-19-12-20-16(15)22-9-7-18-8-10-22/h3-6,11-12,18H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide?
N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-piperazin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 3234754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).