2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide

C20H27N5O — CID 109309414

IUPAC2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-3-24(4-2)19(26)18-10-11-21-20(22-18)25-14-12-23(13-15-25)16-17-8-6-5-7-9-17/h5-11H,3-4,12-16H2,1-2H3
InChIKeyWZCHIDVLRXMLJF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide

2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide (PubChem CID 109309414) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
PubChem CID109309414
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-3-24(4-2)19(26)18-10-11-21-20(22-18)25-14-12-23(13-15-25)16-17-8-6-5-7-9-17/h5-11H,3-4,12-16H2,1-2H3
InChIKeyWZCHIDVLRXMLJF-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
4-[4-(4-benzylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302704
2-(4-benzylpiperazin-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309435
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide (CID 109309414) is 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1ccnc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide?
The InChIKey is WZCHIDVLRXMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-24(4-2)19(26)18-10-11-21-20(22-18)25-14-12-23(13-15-25)16-17-8-6-5-7-9-17/h5-11H,3-4,12-16H2,1-2H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide?
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109309414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).