2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol

C17H21N3O — CID 56879923

IUPAC2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESOC(CNc1nccc(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H21N3O/c21-16(14-8-2-1-3-9-14)12-19-17-18-11-10-15(20-17)13-6-4-5-7-13/h1-3,8-11,13,16,21H,4-7,12H2,(H,18,19,20)
InChIKeyAPZRJMMDVPQJCR-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.28
Rot. Bonds5

About 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol

2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol (PubChem CID 56879923) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
PubChem CID56879923
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESOC(CNc1nccc(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H21N3O/c21-16(14-8-2-1-3-9-14)12-19-17-18-11-10-15(20-17)13-6-4-5-7-13/h1-3,8-11,13,16,21H,4-7,12H2,(H,18,19,20)
InChIKeyAPZRJMMDVPQJCR-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol (CID 56879923) is 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol is OC(CNc1nccc(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The InChIKey is APZRJMMDVPQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16(14-8-2-1-3-9-14)12-19-17-18-11-10-15(20-17)13-6-4-5-7-13/h1-3,8-11,13,16,21H,4-7,12H2,(H,18,19,20).
What are the key properties of 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol has a molecular weight of 283.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol is sourced from PubChem (CID 56879923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).