N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C20H27N5O — CID 109361785

IUPACN-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-3-4-10-21-20(26)18-15-19(23-16(2)22-18)25-13-11-24(12-14-25)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3,(H,21,26)
InChIKeyQWUFLWQATLWMLT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.64
Rot. Bonds6

About N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109361785) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109361785
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-3-4-10-21-20(26)18-15-19(23-16(2)22-18)25-13-11-24(12-14-25)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3,(H,21,26)
InChIKeyQWUFLWQATLWMLT-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109361785) is N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)nc(C)n1.
What is the InChIKey of N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is QWUFLWQATLWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-4-10-21-20(26)18-15-19(23-16(2)22-18)25-13-11-24(12-14-25)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14H2,1-2H3,(H,21,26).
What are the key properties of N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).