4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine

C14H24N2S — CID 139483154

IUPAC4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine
SMILESCSC(C)(C)Cc1nccc(CC(C)(C)C)n1
InChIInChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3
InChIKeyMOGCPCCHFUQHAK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.75
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine

4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine (PubChem CID 139483154) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine
PubChem CID139483154
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine
SMILESCSC(C)(C)Cc1nccc(CC(C)(C)C)n1
InChIInChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3
InChIKeyMOGCPCCHFUQHAK-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine (CID 139483154) is 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine is CSC(C)(C)Cc1nccc(CC(C)(C)C)n1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?
The InChIKey is MOGCPCCHFUQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(2,3)9-11-7-8-15-12(16-11)10-14(4,5)17-6/h7-8H,9-10H2,1-6H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine?
4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine has a molecular weight of 252.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(2-methyl-2-methylsulfanylpropyl)pyrimidine is sourced from PubChem (CID 139483154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).