3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide

C15H25N3OS — CID 17410702

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC(C)C(C)C)c(C)n1
InChIInChI=1S/C15H25N3OS/c1-9(2)10(3)16-14(19)8-7-13-11(4)17-15(20-6)18-12(13)5/h9-10H,7-8H2,1-6H3,(H,16,19)
InChIKeyGTIDKRLAYTWVSX-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.91
Rot. Bonds6

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 17410702) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
PubChem CID17410702
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC(C)C(C)C)c(C)n1
InChIInChI=1S/C15H25N3OS/c1-9(2)10(3)16-14(19)8-7-13-11(4)17-15(20-6)18-12(13)5/h9-10H,7-8H2,1-6H3,(H,16,19)
InChIKeyGTIDKRLAYTWVSX-UHFFFAOYSA-N
XLogP2.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide (CID 17410702) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide is CSc1nc(C)c(CCC(=O)NC(C)C(C)C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is GTIDKRLAYTWVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-9(2)10(3)16-14(19)8-7-13-11(4)17-15(20-6)18-12(13)5/h9-10H,7-8H2,1-6H3,(H,16,19).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 295.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 17410702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).