3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

C15H21N7 — CID 19141537

IUPAC3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)c1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C15H21N7/c16-7-3-9-22(10-4-8-17)15-13(18)14(19-11-20-15)21-12-5-1-2-6-12/h11-12H,1-6,9-10,18H2,(H,19,20,21)
InChIKeyFNDCWVNNRHOUKI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.05
Rot. Bonds7

About 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile (PubChem CID 19141537) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
PubChem CID19141537
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)c1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C15H21N7/c16-7-3-9-22(10-4-8-17)15-13(18)14(19-11-20-15)21-12-5-1-2-6-12/h11-12H,1-6,9-10,18H2,(H,19,20,21)
InChIKeyFNDCWVNNRHOUKI-UHFFFAOYSA-N
XLogP2.05
TPSA114.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The IUPAC name of 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile (CID 19141537) is 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The canonical SMILES for 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile is N#CCCN(CCC#N)c1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
The InChIKey is FNDCWVNNRHOUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c16-7-3-9-22(10-4-8-17)15-13(18)14(19-11-20-15)21-12-5-1-2-6-12/h11-12H,1-6,9-10,18H2,(H,19,20,21).
What are the key properties of 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile?
3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile has a molecular weight of 299.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile is sourced from PubChem (CID 19141537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).