N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine

C13H23N3O — CID 83188748

IUPACN-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCCCC(C)C)nc1C
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-7-17-13-15-9-12(8-14-4)11(3)16-13/h9-10,14H,5-8H2,1-4H3
InChIKeySLRFYLFVTUHQIO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds7

About N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine (PubChem CID 83188748) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
PubChem CID83188748
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCCCC(C)C)nc1C
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-7-17-13-15-9-12(8-14-4)11(3)16-13/h9-10,14H,5-8H2,1-4H3
InChIKeySLRFYLFVTUHQIO-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
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-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine (CID 83188748) is N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OCCCC(C)C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine?
The InChIKey is SLRFYLFVTUHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)6-5-7-17-13-15-9-12(8-14-4)11(3)16-13/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).