2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide

C18H24N4O2S — CID 42739444

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H24N4O2S/c1-4-7-15(25-18-21-13(2)12-16(23)22(18)3)17(24)20-11-9-14-8-5-6-10-19-14/h5-6,8,10,12,15H,4,7,9,11H2,1-3H3,(H,20,24)
InChIKeyFQXDKNPZFBUIPZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.10
Rot. Bonds8

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 42739444) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID42739444
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCc1ccccn1
InChIInChI=1S/C18H24N4O2S/c1-4-7-15(25-18-21-13(2)12-16(23)22(18)3)17(24)20-11-9-14-8-5-6-10-19-14/h5-6,8,10,12,15H,4,7,9,11H2,1-3H3,(H,20,24)
InChIKeyFQXDKNPZFBUIPZ-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
CID 42739469
N-cyclopropyl-2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42739447
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 42739114
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42739470
2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
N-butyl-2-pyridin-2-ylsulfanylpentanamide
CID 14921565
ethyl (2R)-2-[[4-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoate
CID 95636163
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-benzyl-2-(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42738673
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide (CID 42739444) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide is CCCC(Sc1nc(C)cc(=O)n1C)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is FQXDKNPZFBUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-4-7-15(25-18-21-13(2)12-16(23)22(18)3)17(24)20-11-9-14-8-5-6-10-19-14/h5-6,8,10,12,15H,4,7,9,11H2,1-3H3,(H,20,24).
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 360.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 42739444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).