6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione

C14H17N5O3S — CID 2419546

IUPAC6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(C)nc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C14H17N5O3S/c1-7-5-8(2)17-13(16-7)23-6-9(20)10-11(15)18(3)14(22)19(4)12(10)21/h5H,6,15H2,1-4H3
InChIKeyRWQJKZFMEJJDSP-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.05
Rot. Bonds4

About 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2419546) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2419546
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(C)nc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C14H17N5O3S/c1-7-5-8(2)17-13(16-7)23-6-9(20)10-11(15)18(3)14(22)19(4)12(10)21/h5H,6,15H2,1-4H3
InChIKeyRWQJKZFMEJJDSP-UHFFFAOYSA-N
XLogP0.05
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2419546) is 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(C)nc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1.
What is the InChIKey of 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RWQJKZFMEJJDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-7-5-8(2)17-13(16-7)23-6-9(20)10-11(15)18(3)14(22)19(4)12(10)21/h5H,6,15H2,1-4H3.
What are the key properties of 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 335.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2419546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).