N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline

C16H21N5 — CID 103278373

IUPACN,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
SMILESCN(C)c1ccc(-c2ccnc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H21N5/c1-20(2)14-5-3-13(4-6-14)15-7-8-18-16(19-15)21-11-9-17-10-12-21/h3-8,17H,9-12H2,1-2H3
InChIKeyQPSZZKQQEGJTFG-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.62
Rot. Bonds3

About N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline

N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline (PubChem CID 103278373) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
PubChem CID103278373
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
SMILESCN(C)c1ccc(-c2ccnc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H21N5/c1-20(2)14-5-3-13(4-6-14)15-7-8-18-16(19-15)21-11-9-17-10-12-21/h3-8,17H,9-12H2,1-2H3
InChIKeyQPSZZKQQEGJTFG-UHFFFAOYSA-N
XLogP1.62
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.62
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-(2-piperazin-1-ylpyrimidin-4-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline (CID 103278373) is N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline is CN(C)c1ccc(-c2ccnc(N3CCNCC3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline?
The InChIKey is QPSZZKQQEGJTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(2)14-5-3-13(4-6-14)15-7-8-18-16(19-15)21-11-9-17-10-12-21/h3-8,17H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline?
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline has a molecular weight of 283.38 g/mol, XLogP of 1.62, 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-(2-piperazin-1-ylpyrimidin-4-yl)aniline is sourced from PubChem (CID 103278373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).