3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol

C17H21N3O — CID 166612387

IUPAC3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol
SMILESCCc1cnc(N2CCC(Cc3cccc(O)c3)C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-13-10-18-17(19-11-13)20-7-6-15(12-20)8-14-4-3-5-16(21)9-14/h3-5,9-11,15,21H,2,6-8,12H2,1H3
InChIKeyZUYGFUDBNLJQHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.81
Rot. Bonds4

About 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol

3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol (PubChem CID 166612387) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol
PubChem CID166612387
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol
SMILESCCc1cnc(N2CCC(Cc3cccc(O)c3)C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-13-10-18-17(19-11-13)20-7-6-15(12-20)8-14-4-3-5-16(21)9-14/h3-5,9-11,15,21H,2,6-8,12H2,1H3
InChIKeyZUYGFUDBNLJQHB-UHFFFAOYSA-N
XLogP2.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol?
The IUPAC name of 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol (CID 166612387) is 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol?
The canonical SMILES for 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol is CCc1cnc(N2CCC(Cc3cccc(O)c3)C2)nc1.
What is the InChIKey of 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol?
The InChIKey is ZUYGFUDBNLJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-13-10-18-17(19-11-13)20-7-6-15(12-20)8-14-4-3-5-16(21)9-14/h3-5,9-11,15,21H,2,6-8,12H2,1H3.
What are the key properties of 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol?
3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol is sourced from PubChem (CID 166612387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).