2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide

C21H27N5O2 — CID 46037141

IUPAC2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3c(C)cccc3C)CC2)nc1OC
InChIInChI=1S/C21H27N5O2/c1-5-9-22-19(27)17-14-23-21(24-20(17)28-4)26-12-10-25(11-13-26)18-15(2)7-6-8-16(18)3/h5-8,14H,1,9-13H2,2-4H3,(H,22,27)
InChIKeyVXXNLDOKWASZFN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide

2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 46037141) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID46037141
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3c(C)cccc3C)CC2)nc1OC
InChIInChI=1S/C21H27N5O2/c1-5-9-22-19(27)17-14-23-21(24-20(17)28-4)26-12-10-25(11-13-26)18-15(2)7-6-8-16(18)3/h5-8,14H,1,9-13H2,2-4H3,(H,22,27)
InChIKeyVXXNLDOKWASZFN-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 42847771
[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxypyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42847788
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847808
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
CID 46037111
2-[[[4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043194
2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361421
2-[4-(3-chlorophenyl)piperazin-1-yl]-4-methoxy-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42847751

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide (CID 46037141) is 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(N2CCN(c3c(C)cccc3C)CC2)nc1OC.
What is the InChIKey of 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is VXXNLDOKWASZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-9-22-19(27)17-14-23-21(24-20(17)28-4)26-12-10-25(11-13-26)18-15(2)7-6-8-16(18)3/h5-8,14H,1,9-13H2,2-4H3,(H,22,27).
What are the key properties of 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 46037141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).