6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine

C14H25N3 — CID 107816361

IUPAC6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(CC)ncn1
InChIInChI=1S/C14H25N3/c1-4-7-8-12(5-2)10-15-14-9-13(6-3)16-11-17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyQVOUPAYOIXYXQV-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.67
Rot. Bonds8

About 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine

6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine (PubChem CID 107816361) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
PubChem CID107816361
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
SMILESCCCCC(CC)CNc1cc(CC)ncn1
InChIInChI=1S/C14H25N3/c1-4-7-8-12(5-2)10-15-14-9-13(6-3)16-11-17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyQVOUPAYOIXYXQV-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine (CID 107816361) is 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine is CCCCC(CC)CNc1cc(CC)ncn1.
What is the InChIKey of 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine?
The InChIKey is QVOUPAYOIXYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-7-8-12(5-2)10-15-14-9-13(6-3)16-11-17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine?
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine is sourced from PubChem (CID 107816361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).