N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine

C10H18N4O — CID 106308298

IUPACN-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCCOCCN)n1
InChIInChI=1S/C10H18N4O/c1-9-12-6-3-10(14-9)13-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14)
InChIKeyOCBOPSBXRPXNPT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine

N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine (PubChem CID 106308298) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
PubChem CID106308298
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCCOCCN)n1
InChIInChI=1S/C10H18N4O/c1-9-12-6-3-10(14-9)13-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14)
InChIKeyOCBOPSBXRPXNPT-UHFFFAOYSA-N
XLogP0.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine (CID 106308298) is N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCCCOCCN)n1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine?
The InChIKey is OCBOPSBXRPXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9-12-6-3-10(14-9)13-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine?
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine has a molecular weight of 210.28 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106308298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).