4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine

C11H18N2OS — CID 14456632

IUPAC4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine
SMILESCc1cc(OC(C)C)nc(SC(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-7(2)14-10-6-9(5)12-11(13-10)15-8(3)4/h6-8H,1-5H3
InChIKeyKYKXIAVXUOLMSM-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.07
Rot. Bonds4

About 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine

4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine (PubChem CID 14456632) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine
PubChem CID14456632
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine
SMILESCc1cc(OC(C)C)nc(SC(C)C)n1
InChIInChI=1S/C11H18N2OS/c1-7(2)14-10-6-9(5)12-11(13-10)15-8(3)4/h6-8H,1-5H3
InChIKeyKYKXIAVXUOLMSM-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine (CID 14456632) is 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine is Cc1cc(OC(C)C)nc(SC(C)C)n1.
What is the InChIKey of 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine?
The InChIKey is KYKXIAVXUOLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(2)14-10-6-9(5)12-11(13-10)15-8(3)4/h6-8H,1-5H3.
What are the key properties of 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine?
4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine has a molecular weight of 226.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yloxy-2-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 14456632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).