4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine

C16H20N2OS — CID 4620761

IUPAC4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-7-5-14(6-8-15)10-20-16-17-12(3)9-13(4)18-16/h5-9,11H,10H2,1-4H3
InChIKeyTTXQAJNIJFNPPN-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.17
Rot. Bonds5

About 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine

4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine (PubChem CID 4620761) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine
PubChem CID4620761
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-11(2)19-15-7-5-14(6-8-15)10-20-16-17-12(3)9-13(4)18-16/h5-9,11H,10H2,1-4H3
InChIKeyTTXQAJNIJFNPPN-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine (CID 4620761) is 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine is Cc1cc(C)nc(SCc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine?
The InChIKey is TTXQAJNIJFNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)19-15-7-5-14(6-8-15)10-20-16-17-12(3)9-13(4)18-16/h5-9,11H,10H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine?
4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine has a molecular weight of 288.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 4620761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).