5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine

C13H22ClN3O — CID 107816615

IUPAC5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-12-11(14)9-16-13(17-12)18-3/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFJKANTRIUZVOIF-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.77
Rot. Bonds8

About 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine

5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine (PubChem CID 107816615) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
PubChem CID107816615
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
SMILESCCCCC(CC)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-12-11(14)9-16-13(17-12)18-3/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFJKANTRIUZVOIF-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine (CID 107816615) is 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine is CCCCC(CC)CNc1nc(OC)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine?
The InChIKey is FJKANTRIUZVOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-4-6-7-10(5-2)8-15-12-11(14)9-16-13(17-12)18-3/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine?
5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 107816615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).