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

C13H13N5O3S — CID 9360297

IUPAC6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2ncccn2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C13H13N5O3S/c14-10-9(8(19)6-22-12-15-4-1-5-16-12)11(20)17-13(21)18(10)7-2-3-7/h1,4-5,7H,2-3,6,14H2,(H,17,20,21)
InChIKeyCIZSKPCMKJBVSV-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.22
Rot. Bonds5

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

6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 9360297) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID9360297
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2ncccn2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C13H13N5O3S/c14-10-9(8(19)6-22-12-15-4-1-5-16-12)11(20)17-13(21)18(10)7-2-3-7/h1,4-5,7H,2-3,6,14H2,(H,17,20,21)
InChIKeyCIZSKPCMKJBVSV-UHFFFAOYSA-N
XLogP0.22
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 9360297) is 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is Nc1c(C(=O)CSc2ncccn2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is CIZSKPCMKJBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c14-10-9(8(19)6-22-12-15-4-1-5-16-12)11(20)17-13(21)18(10)7-2-3-7/h1,4-5,7H,2-3,6,14H2,(H,17,20,21).
What are the key properties of 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 319.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 9360297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).