3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione

C10H13N5O2S — CID 55239762

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-3-11-9-7(12-13-18-9)6-15-8(16)4-5-14(2)10(15)17/h4-5,11H,3,6H2,1-2H3
InChIKeyBXPCPWPUUPSZKN-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.12
Rot. Bonds4

About 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 55239762) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
PubChem CID55239762
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C10H13N5O2S/c1-3-11-9-7(12-13-18-9)6-15-8(16)4-5-14(2)10(15)17/h4-5,11H,3,6H2,1-2H3
InChIKeyBXPCPWPUUPSZKN-UHFFFAOYSA-N
XLogP-0.12
TPSA81.81 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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione (CID 55239762) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione is CCNc1snnc1Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is BXPCPWPUUPSZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-3-11-9-7(12-13-18-9)6-15-8(16)4-5-14(2)10(15)17/h4-5,11H,3,6H2,1-2H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 55239762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).