6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione

C11H15N5O2S — CID 63830275

IUPAC6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2S/c1-2-16-9(12)8(10(17)15-11(16)18)13-4-3-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18)
InChIKeyBIEJLDSLTJAIPH-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.25
Rot. Bonds5

About 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 63830275) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID63830275
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2S/c1-2-16-9(12)8(10(17)15-11(16)18)13-4-3-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18)
InChIKeyBIEJLDSLTJAIPH-UHFFFAOYSA-N
XLogP0.25
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (CID 63830275) is 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is BIEJLDSLTJAIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-16-9(12)8(10(17)15-11(16)18)13-4-3-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 63830275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).