N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine

C17H31N3O — CID 79218565

IUPACN-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nc(COCCC)nc1CC
InChIInChI=1S/C17H31N3O/c1-5-10-18-11-9-14-15(7-3)19-17(13-21-12-6-2)20-16(14)8-4/h18H,5-13H2,1-4H3
InChIKeyXGGCFRHEYAHMTH-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.07
Rot. Bonds11

About N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 79218565) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID79218565
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(CC)nc(COCCC)nc1CC
InChIInChI=1S/C17H31N3O/c1-5-10-18-11-9-14-15(7-3)19-17(13-21-12-6-2)20-16(14)8-4/h18H,5-13H2,1-4H3
InChIKeyXGGCFRHEYAHMTH-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.07
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-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 79218565) is N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(CC)nc(COCCC)nc1CC.
What is the InChIKey of N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is XGGCFRHEYAHMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-10-18-11-9-14-15(7-3)19-17(13-21-12-6-2)20-16(14)8-4/h18H,5-13H2,1-4H3.
What are the key properties of N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79218565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).