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

C17H21N3O — CID 95559150

IUPAC(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESO[C@@H](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)/t16-/m0/s1
InChIKeyAPZRJMMDVPQJCR-INIZCTEOSA-N
MW283.38 g/mol
LogP3.28
Rot. Bonds5

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

(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol (PubChem CID 95559150) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
PubChem CID95559150
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESO[C@@H](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)/t16-/m0/s1
InChIKeyAPZRJMMDVPQJCR-INIZCTEOSA-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 (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol (CID 95559150) is (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol is O[C@@H](CNc1nccc(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
The InChIKey is APZRJMMDVPQJCR-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol?
(1R)-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 (1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol is sourced from PubChem (CID 95559150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).