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

C9H10IN5OS — CID 80607834

IUPAC5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCNc1nnc(Cn2cnc(C)c(I)c2=O)s1
InChIInChI=1S/C9H10IN5OS/c1-5-7(10)8(16)15(4-12-5)3-6-13-14-9(11-2)17-6/h4H,3H2,1-2H3,(H,11,14)
InChIKeyTZXZNNKLKLKTQN-UHFFFAOYSA-N
MW363.18 g/mol
LogP1.10
Rot. Bonds3

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

5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 80607834) has the molecular formula C9H10IN5OS and a molecular weight of 363.18 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
PubChem CID80607834
Molecular FormulaC9H10IN5OS
Molecular Weight363.18 g/mol
Exact Mass362.97
IUPAC Name5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCNc1nnc(Cn2cnc(C)c(I)c2=O)s1
InChIInChI=1S/C9H10IN5OS/c1-5-7(10)8(16)15(4-12-5)3-6-13-14-9(11-2)17-6/h4H,3H2,1-2H3,(H,11,14)
InChIKeyTZXZNNKLKLKTQN-UHFFFAOYSA-N
XLogP1.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608564
5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80608742
5-iodo-2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608115
5-(benzimidazol-1-ylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607994
5-iodo-6-methyl-3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrimidin-4-one
CID 66340892
3-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340017
5-iodo-6-methyl-3-propylpyrimidin-4-one
CID 66343113
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685480
3-[(5-iodo-4-methyl-6-oxopyrimidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 66342646
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
3-[(2-amino-1,3-thiazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341564
3-[3-(tert-butylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341796

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (CID 80607834) is 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is CNc1nnc(Cn2cnc(C)c(I)c2=O)s1.
What is the InChIKey of 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is TZXZNNKLKLKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5OS/c1-5-7(10)8(16)15(4-12-5)3-6-13-14-9(11-2)17-6/h4H,3H2,1-2H3,(H,11,14).
What are the key properties of 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 363.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80607834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).