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

C12H16N4O2S — CID 62840509

IUPAC6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC(C)c2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2S/c1-3-16-10(13)9(11(17)15-12(16)18)14-7(2)8-4-5-19-6-8/h4-7,14H,3,13H2,1-2H3,(H,15,17,18)
InChIKeyDJNWMTPQFFPPRA-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.37
Rot. Bonds4

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

6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione (PubChem CID 62840509) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
PubChem CID62840509
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC(C)c2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2S/c1-3-16-10(13)9(11(17)15-12(16)18)14-7(2)8-4-5-19-6-8/h4-7,14H,3,13H2,1-2H3,(H,15,17,18)
InChIKeyDJNWMTPQFFPPRA-UHFFFAOYSA-N
XLogP1.37
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-[1-(4-methylphenyl)ethylamino]pyrimidine-2,4-dione
CID 60967574
6-amino-1-ethyl-5-(thiophen-3-ylmethylamino)pyrimidine-2,4-dione
CID 60966171
6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
CID 114383008
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-1-ethyl-5-(hexan-3-ylamino)pyrimidine-2,4-dione
CID 55030966
6-amino-1-benzyl-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyrimidine-2,4-dione
CID 113239928
6-amino-5-[1-(4-chlorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 60666954
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-1-ethyl-5-(2-thiophen-3-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 9232801
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione (CID 62840509) is 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione is CCn1c(N)c(NC(C)c2ccsc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione?
The InChIKey is DJNWMTPQFFPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-16-10(13)9(11(17)15-12(16)18)14-7(2)8-4-5-19-6-8/h4-7,14H,3,13H2,1-2H3,(H,15,17,18).
What are the key properties of 6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione has a molecular weight of 280.35 g/mol, XLogP of 1.37, 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-(1-thiophen-3-ylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 62840509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).