4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine

C16H19N3OS — CID 1471380

IUPAC4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCSCc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3OS/c1-21-12-14-11-15(19-7-9-20-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyMLNZIJKKSLNUDK-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.84
Rot. Bonds4

About 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1471380) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1471380
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine
SMILESCSCc1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3OS/c1-21-12-14-11-15(19-7-9-20-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKeyMLNZIJKKSLNUDK-UHFFFAOYSA-N
XLogP2.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine (CID 1471380) is 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine is CSCc1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is MLNZIJKKSLNUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-21-12-14-11-15(19-7-9-20-10-8-19)18-16(17-14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3.
What are the key properties of 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 301.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylsulfanylmethyl)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1471380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).