5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine

C20H28N4 — CID 56895421

IUPAC5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine
SMILESCCCc1ncc(CN2CCN(c3ccc(C)cc3)CC2C)cn1
InChIInChI=1S/C20H28N4/c1-4-5-20-21-12-18(13-22-20)15-23-10-11-24(14-17(23)3)19-8-6-16(2)7-9-19/h6-9,12-13,17H,4-5,10-11,14-15H2,1-3H3
InChIKeyNKICFKRPFVDQAF-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.45
Rot. Bonds5

About 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine

5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine (PubChem CID 56895421) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine.

Molecular Properties

Compound Name5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine
PubChem CID56895421
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine
SMILESCCCc1ncc(CN2CCN(c3ccc(C)cc3)CC2C)cn1
InChIInChI=1S/C20H28N4/c1-4-5-20-21-12-18(13-22-20)15-23-10-11-24(14-17(23)3)19-8-6-16(2)7-9-19/h6-9,12-13,17H,4-5,10-11,14-15H2,1-3H3
InChIKeyNKICFKRPFVDQAF-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-4-(4-methylphenyl)-1-[2-(1H-pyrazol-4-yl)ethyl]piperazine
CID 124755196
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
CID 56704337
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
5-(4-ethyl-3-methylpiperazin-1-yl)pyridin-2-amine
CID 63608912
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
CID 124752379
3-benzhydryl-5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45178559
2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
CID 131939868
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
1-[2-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]ethyl]azepane;bis(2,2,2-trifluoroacetic acid)
CID 154889136

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine?
The IUPAC name of 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine (CID 56895421) is 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine.
What is the SMILES notation for 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine?
The canonical SMILES for 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine is CCCc1ncc(CN2CCN(c3ccc(C)cc3)CC2C)cn1.
What is the InChIKey of 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine?
The InChIKey is NKICFKRPFVDQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-4-5-20-21-12-18(13-22-20)15-23-10-11-24(14-17(23)3)19-8-6-16(2)7-9-19/h6-9,12-13,17H,4-5,10-11,14-15H2,1-3H3.
What are the key properties of 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine?
5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine has a molecular weight of 324.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-2-propylpyrimidine is sourced from PubChem (CID 56895421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).