5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine

C9H16N4O — CID 105450108

IUPAC5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
SMILESCCc1nc(N)nc(OC)c1CCN
InChIInChI=1S/C9H16N4O/c1-3-7-6(4-5-10)8(14-2)13-9(11)12-7/h3-5,10H2,1-2H3,(H2,11,12,13)
InChIKeyNYPVGPIKJXPFRO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds4

About 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine

5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine (PubChem CID 105450108) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
PubChem CID105450108
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
SMILESCCc1nc(N)nc(OC)c1CCN
InChIInChI=1S/C9H16N4O/c1-3-7-6(4-5-10)8(14-2)13-9(11)12-7/h3-5,10H2,1-2H3,(H2,11,12,13)
InChIKeyNYPVGPIKJXPFRO-UHFFFAOYSA-N
XLogP0.13
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine (CID 105450108) is 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine is CCc1nc(N)nc(OC)c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine?
The InChIKey is NYPVGPIKJXPFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7-6(4-5-10)8(14-2)13-9(11)12-7/h3-5,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine?
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 105450108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).