6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine

C15H22BrN3 — CID 114137347

IUPAC6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cc(NCCCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19)
InChIKeyZCCQTRNHACJUME-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.50
Rot. Bonds6

About 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine

6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine (PubChem CID 114137347) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
PubChem CID114137347
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
SMILESBrc1cc(NCCCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19)
InChIKeyZCCQTRNHACJUME-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine (CID 114137347) is 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine is Brc1cc(NCCCC2CCCC2)nc(C2CC2)n1.
What is the InChIKey of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
The InChIKey is ZCCQTRNHACJUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-13-10-14(19-15(18-13)12-7-8-12)17-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine?
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine has a molecular weight of 324.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 114137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).