[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine

C13H23N3O — CID 107542534

IUPAC[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine
SMILESCCCCC(CC)COc1nccc(CN)n1
InChIInChI=1S/C13H23N3O/c1-3-5-6-11(4-2)10-17-13-15-8-7-12(9-14)16-13/h7-8,11H,3-6,9-10,14H2,1-2H3
InChIKeyWGBHYFXXRRIRAI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.53
Rot. Bonds8

About [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine

[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine (PubChem CID 107542534) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine
PubChem CID107542534
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine
SMILESCCCCC(CC)COc1nccc(CN)n1
InChIInChI=1S/C13H23N3O/c1-3-5-6-11(4-2)10-17-13-15-8-7-12(9-14)16-13/h7-8,11H,3-6,9-10,14H2,1-2H3
InChIKeyWGBHYFXXRRIRAI-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine (CID 107542534) is [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine is CCCCC(CC)COc1nccc(CN)n1.
What is the InChIKey of [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine?
The InChIKey is WGBHYFXXRRIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-11(4-2)10-17-13-15-8-7-12(9-14)16-13/h7-8,11H,3-6,9-10,14H2,1-2H3.
What are the key properties of [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine?
[2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexoxy)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).