6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine

C21H30N4 — CID 112867912

IUPAC6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
SMILESCCCCNc1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C21H30N4/c1-3-4-12-22-20-16-21(24-17(2)23-20)25-13-10-19(11-14-25)15-18-8-6-5-7-9-18/h5-9,16,19H,3-4,10-15H2,1-2H3,(H,22,23,24)
InChIKeyDREAVAQEBBKEEW-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.46
Rot. Bonds7

About 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine

6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine (PubChem CID 112867912) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
PubChem CID112867912
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
SMILESCCCCNc1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C21H30N4/c1-3-4-12-22-20-16-21(24-17(2)23-20)25-13-10-19(11-14-25)15-18-8-6-5-7-9-18/h5-9,16,19H,3-4,10-15H2,1-2H3,(H,22,23,24)
InChIKeyDREAVAQEBBKEEW-UHFFFAOYSA-N
XLogP4.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine 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

6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872484
6-(4-benzylpiperidin-1-yl)-N-butyl-N,2-dimethylpyrimidin-4-amine
CID 112876342
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857435
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 80757736
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine (CID 112867912) is 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine is CCCCNc1cc(N2CCC(Cc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine?
The InChIKey is DREAVAQEBBKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-4-12-22-20-16-21(24-17(2)23-20)25-13-10-19(11-14-25)15-18-8-6-5-7-9-18/h5-9,16,19H,3-4,10-15H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine?
6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112867912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).