N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C14H24N4 — CID 112867837

IUPACN-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCCCCNc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-3-4-8-15-13-11-14(17-12(2)16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyQILQBCUSHIYFAV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds5

About N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112867837) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112867837
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCCCCNc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-3-4-8-15-13-11-14(17-12(2)16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyQILQBCUSHIYFAV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
6-(azepan-1-yl)-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 112869524
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644
6-(4-benzylpiperidin-1-yl)-N-butyl-2-methylpyrimidin-4-amine
CID 112867912
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
6-N-butyl-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112867983
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
ethyl 4-[2-methyl-6-(pentylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112875252
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112867837) is N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is CCCCNc1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is QILQBCUSHIYFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-8-15-13-11-14(17-12(2)16-13)18-9-6-5-7-10-18/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112867837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).