N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide

C15H17ClN4OS — CID 2890968

IUPACN-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN4OS/c1-4-12(22-15-18-9(2)7-10(3)19-15)14(21)20-13-6-5-11(16)8-17-13/h5-8,12H,4H2,1-3H3,(H,17,20,21)
InChIKeyOOYBLRFMJPDARD-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.65
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide

N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide (PubChem CID 2890968) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide
PubChem CID2890968
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN4OS/c1-4-12(22-15-18-9(2)7-10(3)19-15)14(21)20-13-6-5-11(16)8-17-13/h5-8,12H,4H2,1-3H3,(H,17,20,21)
InChIKeyOOYBLRFMJPDARD-UHFFFAOYSA-N
XLogP3.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide (CID 2890968) is N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide is CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide?
The InChIKey is OOYBLRFMJPDARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-4-12(22-15-18-9(2)7-10(3)19-15)14(21)20-13-6-5-11(16)8-17-13/h5-8,12H,4H2,1-3H3,(H,17,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide?
N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide has a molecular weight of 336.85 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 2890968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).