6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

C13H14N4O3S — CID 2352701

IUPAC6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3S/c1-16-11(14)10(12(19)17(2)13(16)20)8(18)7-21-9-5-3-4-6-15-9/h3-6H,7,14H2,1-2H3
InChIKeyUWXHGWIWBWQJNU-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.04
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 2352701) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID2352701
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3S/c1-16-11(14)10(12(19)17(2)13(16)20)8(18)7-21-9-5-3-4-6-15-9/h3-6H,7,14H2,1-2H3
InChIKeyUWXHGWIWBWQJNU-UHFFFAOYSA-N
XLogP0.04
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 2352701) is 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2ccccn2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is UWXHGWIWBWQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-16-11(14)10(12(19)17(2)13(16)20)8(18)7-21-9-5-3-4-6-15-9/h3-6H,7,14H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 306.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2352701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).