2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile

C16H16N4O — CID 167855530

IUPAC2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C16H16N4O/c17-11-12-5-4-8-14(12)19-16-18-10-9-15(20-16)21-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14H,4-5,8H2,(H,18,19,20)
InChIKeyAASLIUNSJHOWMY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds4

About 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile

2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 167855530) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
PubChem CID167855530
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1nccc(Oc2ccccc2)n1
InChIInChI=1S/C16H16N4O/c17-11-12-5-4-8-14(12)19-16-18-10-9-15(20-16)21-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14H,4-5,8H2,(H,18,19,20)
InChIKeyAASLIUNSJHOWMY-UHFFFAOYSA-N
XLogP3.37
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile (CID 167855530) is 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1nccc(Oc2ccccc2)n1.
What is the InChIKey of 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is AASLIUNSJHOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-12-5-4-8-14(12)19-16-18-10-9-15(20-16)21-13-6-2-1-3-7-13/h1-3,6-7,9-10,12,14H,4-5,8H2,(H,18,19,20).
What are the key properties of 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile?
2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxypyrimidin-2-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 167855530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).