3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C29H41N5O — CID 159387544

IUPAC3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccccn1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1ncccn1
InChIInChI=1S/C8H11N.2C7H10N2.C7H10O/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyLLROQAWKKDTVGK-UHFFFAOYSA-N
MW475.68 g/mol
LogP7.81
Rot. Bonds4

About 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine

3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 159387544) has the molecular formula C29H41N5O and a molecular weight of 475.68 g/mol. Its IUPAC name is 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
PubChem CID159387544
Molecular FormulaC29H41N5O
Molecular Weight475.68 g/mol
Exact Mass475.33
IUPAC Name3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccccn1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1ncccn1
InChIInChI=1S/C8H11N.2C7H10N2.C7H10O/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyLLROQAWKKDTVGK-UHFFFAOYSA-N
XLogP7.81
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The IUPAC name of 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 159387544) is 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine.
What is the SMILES notation for 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The canonical SMILES for 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is CC(C)c1ccccn1.CC(C)c1ccoc1.CC(C)c1cnccn1.CC(C)c1ncccn1.
What is the InChIKey of 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The InChIKey is LLROQAWKKDTVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C7H10N2.C7H10O/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7/h3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 475.68 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 159387544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).