2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine

C16H21N3O — CID 116728590

IUPAC2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
SMILESCCCC(OCC)c1nc(N)cc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-8-14(20-4-2)16-18-13(11-15(17)19-16)12-9-6-5-7-10-12/h5-7,9-11,14H,3-4,8H2,1-2H3,(H2,17,18,19)
InChIKeyUYQKMWMAFXQYBS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds6

About 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine

2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine (PubChem CID 116728590) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
PubChem CID116728590
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine
SMILESCCCC(OCC)c1nc(N)cc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-8-14(20-4-2)16-18-13(11-15(17)19-16)12-9-6-5-7-10-12/h5-7,9-11,14H,3-4,8H2,1-2H3,(H2,17,18,19)
InChIKeyUYQKMWMAFXQYBS-UHFFFAOYSA-N
XLogP3.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine (CID 116728590) is 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine is CCCC(OCC)c1nc(N)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine?
The InChIKey is UYQKMWMAFXQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-14(20-4-2)16-18-13(11-15(17)19-16)12-9-6-5-7-10-12/h5-7,9-11,14H,3-4,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine?
2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 116728590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).