4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine

C14H21N5S — CID 133495211

IUPAC4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
SMILESCc1cc(Sc2nnc(C)n2C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-8(2)13-15-10(5)7-12(16-13)20-14-18-17-11(6)19(14)9(3)4/h7-9H,1-6H3
InChIKeyVGLOVSNMCIOMRY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.54
Rot. Bonds4

About 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine

4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine (PubChem CID 133495211) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
PubChem CID133495211
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
SMILESCc1cc(Sc2nnc(C)n2C(C)C)nc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-8(2)13-15-10(5)7-12(16-13)20-14-18-17-11(6)19(14)9(3)4/h7-9H,1-6H3
InChIKeyVGLOVSNMCIOMRY-UHFFFAOYSA-N
XLogP3.54
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine (CID 133495211) is 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine is Cc1cc(Sc2nnc(C)n2C(C)C)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine?
The InChIKey is VGLOVSNMCIOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(2)13-15-10(5)7-12(16-13)20-14-18-17-11(6)19(14)9(3)4/h7-9H,1-6H3.
What are the key properties of 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine?
4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine has a molecular weight of 291.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 133495211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).