5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

C10H12N4OS — CID 154735652

IUPAC5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cnc(C)c(C)c2=O)s1
InChIInChI=1S/C10H12N4OS/c1-6-7(2)11-5-14(10(6)15)4-9-13-12-8(3)16-9/h5H,4H2,1-3H3
InChIKeyWKAUPUQPTAUFDD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.07
Rot. Bonds2

About 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one

5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (PubChem CID 154735652) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
PubChem CID154735652
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one
SMILESCc1nnc(Cn2cnc(C)c(C)c2=O)s1
InChIInChI=1S/C10H12N4OS/c1-6-7(2)11-5-14(10(6)15)4-9-13-12-8(3)16-9/h5H,4H2,1-3H3
InChIKeyWKAUPUQPTAUFDD-UHFFFAOYSA-N
XLogP1.07
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one (CID 154735652) is 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is Cc1nnc(Cn2cnc(C)c(C)c2=O)s1.
What is the InChIKey of 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
The InChIKey is WKAUPUQPTAUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-7(2)11-5-14(10(6)15)4-9-13-12-8(3)16-9/h5H,4H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one?
5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 154735652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).