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

C10H13N5O2S — CID 80608028

IUPAC2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCNc1nnc(Cn2c(OC)nc(C)cc2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-6-4-8(16)15(10(12-6)17-3)5-7-13-14-9(11-2)18-7/h4H,5H2,1-3H3,(H,11,14)
InChIKeyLIQHSHACKWXBPU-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.50
Rot. Bonds4

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

2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 80608028) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
PubChem CID80608028
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCNc1nnc(Cn2c(OC)nc(C)cc2=O)s1
InChIInChI=1S/C10H13N5O2S/c1-6-4-8(16)15(10(12-6)17-3)5-7-13-14-9(11-2)18-7/h4H,5H2,1-3H3,(H,11,14)
InChIKeyLIQHSHACKWXBPU-UHFFFAOYSA-N
XLogP0.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (CID 80608028) is 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is CNc1nnc(Cn2c(OC)nc(C)cc2=O)s1.
What is the InChIKey of 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is LIQHSHACKWXBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-4-8(16)15(10(12-6)17-3)5-7-13-14-9(11-2)18-7/h4H,5H2,1-3H3,(H,11,14).
What are the key properties of 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 267.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80608028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).