2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C20H27N5O — CID 109326029

IUPAC2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nc(C)cc(C(=O)NCCc3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-3-24-11-13-25(14-12-24)20-22-16(2)15-18(23-20)19(26)21-10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyUHMLMIFBXTZRIN-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.90
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109326029) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109326029
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nc(C)cc(C(=O)NCCc3ccccc3)n2)CC1
InChIInChI=1S/C20H27N5O/c1-3-24-11-13-25(14-12-24)20-22-16(2)15-18(23-20)19(26)21-10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3,(H,21,26)
InChIKeyUHMLMIFBXTZRIN-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326041
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326060
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321614
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
N-benzyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327241
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 109319885
N-(2,6-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326134
2-(4-benzylpiperazin-1-yl)-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322138
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326024

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109326029) is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is CCN1CCN(c2nc(C)cc(C(=O)NCCc3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is UHMLMIFBXTZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-24-11-13-25(14-12-24)20-22-16(2)15-18(23-20)19(26)21-10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3,(H,21,26).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109326029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).