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

C15H23N3OS — CID 9209258

IUPACN-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCCC2)c(C)n1
InChIInChI=1S/C15H23N3OS/c1-10-13(11(2)17-15(16-10)20-3)8-9-14(19)18-12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyVQDYHDBMFVEWJA-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.81
Rot. Bonds5

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

N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (PubChem CID 9209258) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
PubChem CID9209258
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCCC2)c(C)n1
InChIInChI=1S/C15H23N3OS/c1-10-13(11(2)17-15(16-10)20-3)8-9-14(19)18-12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,18,19)
InChIKeyVQDYHDBMFVEWJA-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CID 9209258) is N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is CSc1nc(C)c(CCC(=O)NC2CCCC2)c(C)n1.
What is the InChIKey of N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The InChIKey is VQDYHDBMFVEWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-13(11(2)17-15(16-10)20-3)8-9-14(19)18-12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide has a molecular weight of 293.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 9209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).