N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C14H24N4 — CID 112855144

IUPACN-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C14H24N4/c1-3-4-7-15-13-9-14(17-11-16-13)18-8-5-6-12(2)10-18/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyNTPFKLURKQOFFU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds5

About N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112855144) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112855144
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCCNc1cc(N2CCCC(C)C2)ncn1
InChIInChI=1S/C14H24N4/c1-3-4-7-15-13-9-14(17-11-16-13)18-8-5-6-12(2)10-18/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyNTPFKLURKQOFFU-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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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112855144) is N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CCCCNc1cc(N2CCCC(C)C2)ncn1.
What is the InChIKey of N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NTPFKLURKQOFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-7-15-13-9-14(17-11-16-13)18-8-5-6-12(2)10-18/h9,11-12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-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-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112855144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).