2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide

C23H25N5O — CID 109261095

IUPAC2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-26(21-10-6-3-7-11-21)22(29)20-16-24-23(25-17-20)28-14-12-27(13-15-28)18-19-8-4-2-5-9-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyMWLAQFUZETXAQB-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109261095) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109261095
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCN(C(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C23H25N5O/c1-26(21-10-6-3-7-11-21)22(29)20-16-24-23(25-17-20)28-14-12-27(13-15-28)18-19-8-4-2-5-9-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyMWLAQFUZETXAQB-UHFFFAOYSA-N
XLogP3.08
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 109262018
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109254527
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
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-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide (CID 109261095) is 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide is CN(C(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is MWLAQFUZETXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-26(21-10-6-3-7-11-21)22(29)20-16-24-23(25-17-20)28-14-12-27(13-15-28)18-19-8-4-2-5-9-19/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide?
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.08, 5 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-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).