2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol

C15H17N3O — CID 659356

IUPAC2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol
SMILESCc1cc(N2CCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H17N3O/c1-11-10-14(18-8-4-5-9-18)17-15(16-11)12-6-2-3-7-13(12)19/h2-3,6-7,10,19H,4-5,8-9H2,1H3
InChIKeyUJNLERLFOSUZRN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol

2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol (PubChem CID 659356) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol
PubChem CID659356
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol
SMILESCc1cc(N2CCCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C15H17N3O/c1-11-10-14(18-8-4-5-9-18)17-15(16-11)12-6-2-3-7-13(12)19/h2-3,6-7,10,19H,4-5,8-9H2,1H3
InChIKeyUJNLERLFOSUZRN-UHFFFAOYSA-N
XLogP2.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol (CID 659356) is 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol is Cc1cc(N2CCCC2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol?
The InChIKey is UJNLERLFOSUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-10-14(18-8-4-5-9-18)17-15(16-11)12-6-2-3-7-13(12)19/h2-3,6-7,10,19H,4-5,8-9H2,1H3.
What are the key properties of 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol?
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol has a molecular weight of 255.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)phenol is sourced from PubChem (CID 659356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).