2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide

C21H27N5O2 — CID 130366551

IUPAC2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nccc(C(=O)N(C)C)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(17-5-4-16-7-13-28-19(16)14-17)25-9-11-26(12-10-25)21-22-8-6-18(23-21)20(27)24(2)3/h4-6,8,14-15H,7,9-13H2,1-3H3
InChIKeyUZEGYHAWYADHCK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide

2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide (PubChem CID 130366551) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide
PubChem CID130366551
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nccc(C(=O)N(C)C)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-15(17-5-4-16-7-13-28-19(16)14-17)25-9-11-26(12-10-25)21-22-8-6-18(23-21)20(27)24(2)3/h4-6,8,14-15H,7,9-13H2,1-3H3
InChIKeyUZEGYHAWYADHCK-UHFFFAOYSA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide (CID 130366551) is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide is CC(c1ccc2c(c1)OCC2)N1CCN(c2nccc(C(=O)N(C)C)n2)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide?
The InChIKey is UZEGYHAWYADHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(17-5-4-16-7-13-28-19(16)14-17)25-9-11-26(12-10-25)21-22-8-6-18(23-21)20(27)24(2)3/h4-6,8,14-15H,7,9-13H2,1-3H3.
What are the key properties of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide?
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-N,N-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 130366551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).