2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide

C20H25N5O — CID 109361413

IUPAC2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C20H25N5O/c1-4-8-21-20(26)18-14-19(23-16(3)22-18)25-11-9-24(10-12-25)17-7-5-6-15(2)13-17/h4-7,13-14H,1,8-12H2,2-3H3,(H,21,26)
InChIKeyMZZKQPJUEVDBLF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide

2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109361413) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109361413
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1
InChIInChI=1S/C20H25N5O/c1-4-8-21-20(26)18-14-19(23-16(3)22-18)25-11-9-24(10-12-25)17-7-5-6-15(2)13-17/h4-7,13-14H,1,8-12H2,2-3H3,(H,21,26)
InChIKeyMZZKQPJUEVDBLF-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
2-methyl-N-prop-2-enyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361421
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109373111
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
N-[2-(dimethylamino)ethyl]-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109344276
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide (CID 109361413) is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(N2CCN(c3cccc(C)c3)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is MZZKQPJUEVDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-8-21-20(26)18-14-19(23-16(3)22-18)25-11-9-24(10-12-25)17-7-5-6-15(2)13-17/h4-7,13-14H,1,8-12H2,2-3H3,(H,21,26).
What are the key properties of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide?
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).