6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione

C11H14N4O2S — CID 60966171

IUPAC6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-2-15-9(12)8(10(16)14-11(15)17)13-5-7-3-4-18-6-7/h3-4,6,13H,2,5,12H2,1H3,(H,14,16,17)
InChIKeyHUABBABPTNJBRI-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.81
Rot. Bonds4

About 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 60966171) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione
PubChem CID60966171
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-2-15-9(12)8(10(16)14-11(15)17)13-5-7-3-4-18-6-7/h3-4,6,13H,2,5,12H2,1H3,(H,14,16,17)
InChIKeyHUABBABPTNJBRI-UHFFFAOYSA-N
XLogP0.81
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
6-amino-1-ethyl-5-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidine-2,4-dione
CID 63312031
6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
CID 62840509
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
CID 115613202
6-amino-5-[(3-bromophenyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 61401153
6-amino-5-[(4-bromothiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965294
6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 9232801
6-amino-5-[(5-methylthiophen-2-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 60965303
6-amino-1-benzyl-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyrimidine-2,4-dione
CID 113239928
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione (CID 60966171) is 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCc2ccsc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is HUABBABPTNJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-15-9(12)8(10(16)14-11(15)17)13-5-7-3-4-18-6-7/h3-4,6,13H,2,5,12H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 266.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 60966171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).