N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C13H23N3O2 — CID 83189344

IUPACN-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCCOC)nc1C
InChIInChI=1S/C13H23N3O2/c1-4-6-14-9-12-10-15-13(16-11(12)2)18-8-5-7-17-3/h10,14H,4-9H2,1-3H3
InChIKeyPHDFHLOKKQISHJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.70
Rot. Bonds9

About N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83189344) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83189344
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCCOC)nc1C
InChIInChI=1S/C13H23N3O2/c1-4-6-14-9-12-10-15-13(16-11(12)2)18-8-5-7-17-3/h10,14H,4-9H2,1-3H3
InChIKeyPHDFHLOKKQISHJ-UHFFFAOYSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 106667566
N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 83189344) is N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(OCCCOC)nc1C.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is PHDFHLOKKQISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-14-9-12-10-15-13(16-11(12)2)18-8-5-7-17-3/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83189344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).