1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine

C10H17N3O2 — CID 66318346

IUPAC1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
SMILESCCOc1cc(CC(N)COC)ncn1
InChIInChI=1S/C10H17N3O2/c1-3-15-10-5-9(12-7-13-10)4-8(11)6-14-2/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyVVUGJMHDUYZZES-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.39
Rot. Bonds6

About 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine

1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine (PubChem CID 66318346) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
PubChem CID66318346
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
SMILESCCOc1cc(CC(N)COC)ncn1
InChIInChI=1S/C10H17N3O2/c1-3-15-10-5-9(12-7-13-10)4-8(11)6-14-2/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyVVUGJMHDUYZZES-UHFFFAOYSA-N
XLogP0.39
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine (CID 66318346) is 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine is CCOc1cc(CC(N)COC)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine?
The InChIKey is VVUGJMHDUYZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-15-10-5-9(12-7-13-10)4-8(11)6-14-2/h5,7-8H,3-4,6,11H2,1-2H3.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine?
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine has a molecular weight of 211.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 66318346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).