N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C14H24N4 — CID 112882993

IUPACN-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCCNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-3-4-8-15-14-16-9-5-13(17-14)18-10-6-12(2)7-11-18/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,15,16,17)
InChIKeyZWZLMTOKHCCSAC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds5

About N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112882993) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112882993
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCCCNc1nccc(N2CCC(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-3-4-8-15-14-16-9-5-13(17-14)18-10-6-12(2)7-11-18/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,15,16,17)
InChIKeyZWZLMTOKHCCSAC-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
N-[2-(3-chlorophenyl)ethyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885130
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
5-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938499
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112882993) is N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CCCCNc1nccc(N2CCC(C)CC2)n1.
What is the InChIKey of N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is ZWZLMTOKHCCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-8-15-14-16-9-5-13(17-14)18-10-6-12(2)7-11-18/h5,9,12H,3-4,6-8,10-11H2,1-2H3,(H,15,16,17).
What are the key properties of N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112882993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).