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

C12H13N5O3S — CID 2630111

IUPAC6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N5O3S/c1-16-9(13)8(10(19)17(2)12(16)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,6,13H2,1-2H3
InChIKeyZGKXEDMHMMGRPG-UHFFFAOYSA-N
MW307.34 g/mol
LogP-0.57
Rot. Bonds4

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

6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 2630111) has the molecular formula C12H13N5O3S and a molecular weight of 307.34 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID2630111
Molecular FormulaC12H13N5O3S
Molecular Weight307.34 g/mol
Exact Mass307.07
IUPAC Name6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N5O3S/c1-16-9(13)8(10(19)17(2)12(16)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,6,13H2,1-2H3
InChIKeyZGKXEDMHMMGRPG-UHFFFAOYSA-N
XLogP-0.57
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-Amino-5-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2448990
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 8898403
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-2-pyrimidinyl-
CID 13379284
6-Amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
CID 5086854
6-Amino-1-ethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 8011400
6-Amino-1-cyclopropyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18209446
6-Amino-1-(2-methoxyethyl)-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24634223
6-Amino-1-(2-methylpropyl)-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24634224
6-Amino-1,3-dimethyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 32235245
6-Amino-1,3-dimethyl-5-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
CID 46519261
2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 2894155

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 2630111) is 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is ZGKXEDMHMMGRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-16-9(13)8(10(19)17(2)12(16)20)7(18)6-21-11-14-4-3-5-15-11/h3-5H,6,13H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 307.34 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2630111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).