4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine

C14H20N4S — CID 90718156

IUPAC4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2cncn2CC(C)C)n1
InChIInChI=1S/C14H20N4S/c1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIFABLWKYGKMSRX-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.24
Rot. Bonds5

About 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine

4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine (PubChem CID 90718156) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine
PubChem CID90718156
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(C)nc(SCc2cncn2CC(C)C)n1
InChIInChI=1S/C14H20N4S/c1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIFABLWKYGKMSRX-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine (CID 90718156) is 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine is Cc1cc(C)nc(SCc2cncn2CC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine?
The InChIKey is IFABLWKYGKMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10(2)7-18-9-15-6-13(18)8-19-14-16-11(3)5-12(4)17-14/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine?
4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine has a molecular weight of 276.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 90718156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).