6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

C12H13N5O3S — CID 8011400

IUPAC6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CSc2ncccn2)c(=O)[nH]c1=O
InChIInChI=1S/C12H13N5O3S/c1-2-17-9(13)8(10(19)16-12(17)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,2,6,13H2,1H3,(H,16,19,20)
InChIKeyAIERNWZMBNSZMY-UHFFFAOYSA-N
MW307.34 g/mol
LogP-0.10
Rot. Bonds5

About 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 8011400) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID8011400
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CSc2ncccn2)c(=O)[nH]c1=O
InChIInChI=1S/C12H13N5O3S/c1-2-17-9(13)8(10(19)16-12(17)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,2,6,13H2,1H3,(H,16,19,20)
InChIKeyAIERNWZMBNSZMY-UHFFFAOYSA-N
XLogP-0.10
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 8011400) is 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is CCn1c(N)c(C(=O)CSc2ncccn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is AIERNWZMBNSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-2-17-9(13)8(10(19)16-12(17)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,2,6,13H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 307.34 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 8011400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).