4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine

C16H19N3O — CID 124938852

IUPAC4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2)n1
InChIInChI=1S/C16H19N3O/c1-12-11-15(20-13-7-3-2-4-8-13)19-16(18-12)14-9-5-6-10-17-14/h2-4,7-8,11,14,17H,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyUSZQVQNXPWXIBS-AWEZNQCLSA-N
MW269.35 g/mol
LogP3.39
Rot. Bonds3

About 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine

4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine (PubChem CID 124938852) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
PubChem CID124938852
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2)n1
InChIInChI=1S/C16H19N3O/c1-12-11-15(20-13-7-3-2-4-8-13)19-16(18-12)14-9-5-6-10-17-14/h2-4,7-8,11,14,17H,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyUSZQVQNXPWXIBS-AWEZNQCLSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
CID 63319069
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407
2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
CID 175660200
(2S)-2-(3,4-diphenoxyphenyl)piperidine
CID 171194795
6-methyl-2-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-4-amine
CID 175660444
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
1-methoxy-4-phenoxybenzene;2-methylpiperidine
CID 143435374
4-methyl-2-[(2R)-piperidin-2-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124964353
(2S)-2-phenylpiperidine
CID 10997356
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine?
The IUPAC name of 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine (CID 124938852) is 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine is Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2)n1.
What is the InChIKey of 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine?
The InChIKey is USZQVQNXPWXIBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-15(20-13-7-3-2-4-8-13)19-16(18-12)14-9-5-6-10-17-14/h2-4,7-8,11,14,17H,5-6,9-10H2,1H3/t14-/m0/s1.
What are the key properties of 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine?
4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenoxy-2-[(2S)-piperidin-2-yl]pyrimidine is sourced from PubChem (CID 124938852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).