3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one

C10H13N5OS — CID 55044777

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
SMILESCCNc1snnc1Cn1cnc(C)cc1=O
InChIInChI=1S/C10H13N5OS/c1-3-11-10-8(13-14-17-10)5-15-6-12-7(2)4-9(15)16/h4,6,11H,3,5H2,1-2H3
InChIKeySCHQNTREXFADQY-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.88
Rot. Bonds4

About 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one (PubChem CID 55044777) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
PubChem CID55044777
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
SMILESCCNc1snnc1Cn1cnc(C)cc1=O
InChIInChI=1S/C10H13N5OS/c1-3-11-10-8(13-14-17-10)5-15-6-12-7(2)4-9(15)16/h4,6,11H,3,5H2,1-2H3
InChIKeySCHQNTREXFADQY-UHFFFAOYSA-N
XLogP0.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one (CID 55044777) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one is CCNc1snnc1Cn1cnc(C)cc1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one?
The InChIKey is SCHQNTREXFADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-11-10-8(13-14-17-10)5-15-6-12-7(2)4-9(15)16/h4,6,11H,3,5H2,1-2H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 55044777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).