4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine

C16H20N2OS — CID 14255222

IUPAC4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine
SMILESCc1cnc(Sc2ccc(OC(C)(C)C)cc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-11-10-17-15(18-12(11)2)20-14-8-6-13(7-9-14)19-16(3,4)5/h6-10H,1-5H3
InChIKeyAGFAOKWYNGVARG-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.42
Rot. Bonds3

About 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine

4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine (PubChem CID 14255222) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine
PubChem CID14255222
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine
SMILESCc1cnc(Sc2ccc(OC(C)(C)C)cc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-11-10-17-15(18-12(11)2)20-14-8-6-13(7-9-14)19-16(3,4)5/h6-10H,1-5H3
InChIKeyAGFAOKWYNGVARG-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine?
The IUPAC name of 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine (CID 14255222) is 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine?
The canonical SMILES for 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine is Cc1cnc(Sc2ccc(OC(C)(C)C)cc2)nc1C.
What is the InChIKey of 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine?
The InChIKey is AGFAOKWYNGVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-10-17-15(18-12(11)2)20-14-8-6-13(7-9-14)19-16(3,4)5/h6-10H,1-5H3.
What are the key properties of 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine?
4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine has a molecular weight of 288.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylpyrimidine is sourced from PubChem (CID 14255222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).