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

C15H19N5O3S — CID 8898403

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N5O3S/c1-9(2)7-20-12(16)11(13(22)19(3)15(20)23)10(21)8-24-14-17-5-4-6-18-14/h4-6,9H,7-8,16H2,1-3H3
InChIKeyCVJFAAPRQJMFEV-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.55
Rot. Bonds6

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

6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 8898403) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID8898403
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N5O3S/c1-9(2)7-20-12(16)11(13(22)19(3)15(20)23)10(21)8-24-14-17-5-4-6-18-14/h4-6,9H,7-8,16H2,1-3H3
InChIKeyCVJFAAPRQJMFEV-UHFFFAOYSA-N
XLogP0.55
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 8898403) is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2ncccn2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is CVJFAAPRQJMFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9(2)7-20-12(16)11(13(22)19(3)15(20)23)10(21)8-24-14-17-5-4-6-18-14/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 349.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 8898403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).