N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine

C14H23N3O — CID 72867029

IUPACN-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NCCCOC2CCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-2-12-10-16-14(17-11-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17)
InChIKeyTYBMNQHQNNLYFM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.80
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine

N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine (PubChem CID 72867029) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine
PubChem CID72867029
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine
SMILESCCc1cnc(NCCCOC2CCCC2)nc1
InChIInChI=1S/C14H23N3O/c1-2-12-10-16-14(17-11-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17)
InChIKeyTYBMNQHQNNLYFM-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.80
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 N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine?
The IUPAC name of N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine (CID 72867029) is N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine is CCc1cnc(NCCCOC2CCCC2)nc1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine?
The InChIKey is TYBMNQHQNNLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12-10-16-14(17-11-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine?
N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-5-ethylpyrimidin-2-amine is sourced from PubChem (CID 72867029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).