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

C10H18N4O — CID 106308364

IUPACN-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCOCCN)n1
InChIInChI=1S/C10H18N4O/c1-9-3-6-13-10(14-9)12-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14)
InChIKeyIZEMMDGPQOOFSE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds7

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

N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine (PubChem CID 106308364) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
PubChem CID106308364
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCOCCN)n1
InChIInChI=1S/C10H18N4O/c1-9-3-6-13-10(14-9)12-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14)
InChIKeyIZEMMDGPQOOFSE-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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Related Compounds

4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
N-[3-(2-aminoethoxy)propyl]-2-methylpyrimidin-4-amine
CID 106308298
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
CID 133304713
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
N-(2-methoxy-2-methylpropyl)-4-methylpyrimidin-2-amine
CID 115658471

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine (CID 106308364) is N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCCOCCN)n1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine?
The InChIKey is IZEMMDGPQOOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9-3-6-13-10(14-9)12-5-2-7-15-8-4-11/h3,6H,2,4-5,7-8,11H2,1H3,(H,12,13,14).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine?
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 106308364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).