1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one

C10H16N4OS — CID 4816412

IUPAC1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H16N4OS/c1-10(2,3)6(15)5-16-9-13-7(11)4-8(12)14-9/h4H,5H2,1-3H3,(H4,11,12,13,14)
InChIKeyFBXDIFZAWNGPQB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.35
Rot. Bonds3

About 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one

1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one (PubChem CID 4816412) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one
PubChem CID4816412
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C10H16N4OS/c1-10(2,3)6(15)5-16-9-13-7(11)4-8(12)14-9/h4H,5H2,1-3H3,(H4,11,12,13,14)
InChIKeyFBXDIFZAWNGPQB-UHFFFAOYSA-N
XLogP1.35
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one (CID 4816412) is 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one?
The InChIKey is FBXDIFZAWNGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-10(2,3)6(15)5-16-9-13-7(11)4-8(12)14-9/h4H,5H2,1-3H3,(H4,11,12,13,14).
What are the key properties of 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one?
1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,3-dimethylbutan-2-one is sourced from PubChem (CID 4816412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).