4-methyl-2-propan-2-ylsulfanylpyrimidine

C8H12N2S — CID 58337003

IUPAC4-methyl-2-propan-2-ylsulfanylpyrimidine
SMILESCc1ccnc(SC(C)C)n1
InChIInChI=1S/C8H12N2S/c1-6(2)11-8-9-5-4-7(3)10-8/h4-6H,1-3H3
InChIKeyXBCOTPVKJWMXBX-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.29
Rot. Bonds2

About 4-methyl-2-propan-2-ylsulfanylpyrimidine

4-methyl-2-propan-2-ylsulfanylpyrimidine (PubChem CID 58337003) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylsulfanylpyrimidine
PubChem CID58337003
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-methyl-2-propan-2-ylsulfanylpyrimidine
SMILESCc1ccnc(SC(C)C)n1
InChIInChI=1S/C8H12N2S/c1-6(2)11-8-9-5-4-7(3)10-8/h4-6H,1-3H3
InChIKeyXBCOTPVKJWMXBX-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4-methyl-2-propan-2-ylsulfanylpyrimidine (CID 58337003) is 4-methyl-2-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-ylsulfanylpyrimidine is Cc1ccnc(SC(C)C)n1.
What is the InChIKey of 4-methyl-2-propan-2-ylsulfanylpyrimidine?
The InChIKey is XBCOTPVKJWMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(2)11-8-9-5-4-7(3)10-8/h4-6H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylsulfanylpyrimidine?
4-methyl-2-propan-2-ylsulfanylpyrimidine has a molecular weight of 168.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 58337003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).