N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine

C13H24N4O2 — CID 106308368

IUPACN-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCOCCN)n1
InChIInChI=1S/C13H24N4O2/c1-3-7-19-12-10-11(2)16-13(17-12)15-6-4-8-18-9-5-14/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyAKOLLQGOSQUZBX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.35
Rot. Bonds10

About N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine

N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 106308368) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID106308368
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCOCCN)n1
InChIInChI=1S/C13H24N4O2/c1-3-7-19-12-10-11(2)16-13(17-12)15-6-4-8-18-9-5-14/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyAKOLLQGOSQUZBX-UHFFFAOYSA-N
XLogP1.35
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
N-[3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propyl]methanesulfonamide
CID 106337209
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbothioamide
CID 107547891
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 115975022
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine (CID 106308368) is N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCCOCCN)n1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is AKOLLQGOSQUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-7-19-12-10-11(2)16-13(17-12)15-6-4-8-18-9-5-14/h10H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine?
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 106308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).