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

C9H10FN5O2S — CID 80608817

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H10FN5O2S/c1-2-11-8-14-13-6(18-8)4-15-3-5(10)7(16)12-9(15)17/h3H,2,4H2,1H3,(H,11,14)(H,12,16,17)
InChIKeyBKJDJVCSFXPCNY-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.01
Rot. Bonds4

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

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 80608817) has the molecular formula C9H10FN5O2S and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID80608817
Molecular FormulaC9H10FN5O2S
Molecular Weight271.28 g/mol
Exact Mass271.05
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C9H10FN5O2S/c1-2-11-8-14-13-6(18-8)4-15-3-5(10)7(16)12-9(15)17/h3H,2,4H2,1H3,(H,11,14)(H,12,16,17)
InChIKeyBKJDJVCSFXPCNY-UHFFFAOYSA-N
XLogP0.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 80608817) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione is CCNc1nnc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is BKJDJVCSFXPCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2S/c1-2-11-8-14-13-6(18-8)4-15-3-5(10)7(16)12-9(15)17/h3H,2,4H2,1H3,(H,11,14)(H,12,16,17).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 271.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 80608817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).