6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 82454374

IUPAC6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-5-10-20-15-11-14(17-13-8-6-7-9-13)18-16(19-15)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOGSIHHIZYHYWDB-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.13
Rot. Bonds7

About 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine

6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82454374) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID82454374
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCOc1cc(NC2CCCC2)nc(C(C)C)n1
InChIInChI=1S/C16H27N3O/c1-4-5-10-20-15-11-14(17-13-8-6-7-9-13)18-16(19-15)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOGSIHHIZYHYWDB-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine (CID 82454374) is 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine is CCCCOc1cc(NC2CCCC2)nc(C(C)C)n1.
What is the InChIKey of 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is OGSIHHIZYHYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-10-20-15-11-14(17-13-8-6-7-9-13)18-16(19-15)12(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine?
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).