2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol

C17H21N3O — CID 4262785

IUPAC2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol
SMILESCc1cc(N2CCCCC2C)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O/c1-12-11-16(20-10-6-5-7-13(20)2)19-17(18-12)14-8-3-4-9-15(14)21/h3-4,8-9,11,13,21H,5-7,10H2,1-2H3
InChIKeyFMZBBVHDLZXBKP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.54
Rot. Bonds2

About 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol

2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol (PubChem CID 4262785) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol
PubChem CID4262785
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol
SMILESCc1cc(N2CCCCC2C)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O/c1-12-11-16(20-10-6-5-7-13(20)2)19-17(18-12)14-8-3-4-9-15(14)21/h3-4,8-9,11,13,21H,5-7,10H2,1-2H3
InChIKeyFMZBBVHDLZXBKP-UHFFFAOYSA-N
XLogP3.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.54
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-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol (CID 4262785) is 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol is Cc1cc(N2CCCCC2C)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol?
The InChIKey is FMZBBVHDLZXBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-16(20-10-6-5-7-13(20)2)19-17(18-12)14-8-3-4-9-15(14)21/h3-4,8-9,11,13,21H,5-7,10H2,1-2H3.
What are the key properties of 2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol?
2-[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol has a molecular weight of 283.38 g/mol, XLogP of 3.54, 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-(2-methylpiperidin-1-yl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 4262785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).