4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile

C13H19N5O — CID 122566285

IUPAC4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCCOC2CCCC2)nc1N
InChIInChI=1S/C13H19N5O/c14-8-10-9-17-13(18-12(10)15)16-6-3-7-19-11-4-1-2-5-11/h9,11H,1-7H2,(H3,15,16,17,18)
InChIKeyXYCHYEXVGIZFEZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.69
Rot. Bonds6

About 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile

4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile (PubChem CID 122566285) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile
PubChem CID122566285
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCCOC2CCCC2)nc1N
InChIInChI=1S/C13H19N5O/c14-8-10-9-17-13(18-12(10)15)16-6-3-7-19-11-4-1-2-5-11/h9,11H,1-7H2,(H3,15,16,17,18)
InChIKeyXYCHYEXVGIZFEZ-UHFFFAOYSA-N
XLogP1.69
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile (CID 122566285) is 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(NCCCOC2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile?
The InChIKey is XYCHYEXVGIZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-8-10-9-17-13(18-12(10)15)16-6-3-7-19-11-4-1-2-5-11/h9,11H,1-7H2,(H3,15,16,17,18).
What are the key properties of 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile?
4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-cyclopentyloxypropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 122566285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).